 Home > Encyclopedia > ethyl 3-[[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioyl]amino]benzoate

ethyl 3-[[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioyl]amino]benzoate

ethyl 3-[[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioyl]amino]benzoate structure

CAS No:
1212455-03-2
Formula:
C21H23N3O3S
Chemical Name:
ethyl 3-[[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioyl]amino]benzoate
Synonyms:
ZINC2091385;1212455-03-2

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ethyl 3-[[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioyl]amino]benzoate Basic Attributes

Molecular Weight：

397.5 g/mol

Exact Mass：

397.14601278 g/mol

Characteristics

PSA：

94 Å²

Computed Properties

Molecular Weight:397.5
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:397.14601278
Monoisotopic Mass:397.14601278
Topological Polar Surface Area:94
Heavy Atom Count:28
Complexity:720
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 3-[[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioyl]amino]benzoate

Basic Attributes
Characteristics
Computed Properties
Learn More Other Chemicals

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