 Home > Encyclopedia > 1,1-Dimethylethyl (6S)-6-[5-(7-bromo-9,9-difluoro-9H-fluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate

1,1-Dimethylethyl (6S)-6-[5-(7-bromo-9,9-difluoro-9H-fluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate

1,1-Dimethylethyl (6S)-6-[5-(7-bromo-9,9-difluoro-9H-fluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate structure

CAS No:
1441670-89-8
Formula:
C27H26BrF2N3O2
Chemical Name:
1,1-Dimethylethyl (6S)-6-[5-(7-bromo-9,9-difluoro-9H-fluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate
Synonyms:
5-Azaspiro[2.4]heptane-5-carboxylic acid,6-[5-(7-bromo-9,9-difluoro-9H-fluoren-2-yl)-1H-imidazol-2-yl]-,1,1-dimethylethyl ester,(6S)-;1,1-Dimethylethyl (6S)-6-[5-(7-bromo-9,9-difluoro-9H-fluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate;(S)-tert-Butyl 6-(5-(7-bromo-9,9-difluoro-9H-fluoren-2-yl)-1H-imidazol-2-yl)-5-azaspiro[2.4]heptane-5-carboxylate
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1,1-Dimethylethyl (6S)-6-[5-(7-bromo-9,9-difluoro-9H-fluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate Basic Attributes

Molecular Weight：

542.4150464

Exact Mass：

542.41

EC Number：

1592732-453-0

Characteristics

PSA：

58.2

XLogP3：

5.7

Density：

1.53±0.1 g/cm3(Predicted)

Boiling Point：

681.1±55.0 °C(Predicted)

Flash Point：

365.7±31.5 °C

Refractive Index：

1.665

Safety Information

Precautionary statement(s)：

P260, P264, P270, P309+P311, P405, P501

Hazard Statements：

H371

GHS Classification：

|Warning|H371 (100%): May cause damage to organs [Warning Specific target organ toxicity, single exposure]|P260, P264, P270, P309+P311, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:542.4
XLogP3:5.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:541.11765
Monoisotopic Mass:541.11765
Topological Polar Surface Area:58.2
Heavy Atom Count:35
Complexity:847
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1,1-Dimethylethyl (6S)-6-[5-(7-bromo-9,9-difluoro-9H-fluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate

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