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ethyl 4-[[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]amino]benzoate

ethyl 4-[[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]amino]benzoate structure

CAS No:
1212234-10-0
Formula:
C21H23N3O4
Chemical Name:
ethyl 4-[[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]amino]benzoate
Synonyms:
MLS001075336;CHEMBL1444806;HMS2271H08;ZINC2134094;MCULE-3474092323;SMR000646422;AB00864389-06;1212234-10-0

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ethyl 4-[[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]amino]benzoate Basic Attributes

Molecular Weight：

381.4 g/mol

Exact Mass：

381.16885622 g/mol

Characteristics

PSA：

79 Å²

Water Solubility：

>57.2 [ug/mL]

Computed Properties

Molecular Weight:381.4
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:381.16885622
Monoisotopic Mass:381.16885622
Topological Polar Surface Area:79
Heavy Atom Count:28
Complexity:708
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Hot Searches: 2-bromo-2-methylbutane; boron trifluoride; sodium hydroxide msds; benzyl benzoate; catechol; ambroxol

Guide of ethyl 4-[[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]amino]benzoate

Basic Attributes
Characteristics
Computed Properties
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