Chemical ID: 4823303

CCOC(=O)c1c2c(sc1NC(=O)CC#N)CN(CC2)Cc3ccccc3
Chemical ID:
4823303
Name [?]:
ethyl 4-benzyl-8-(2-cyanoacetyl)amino-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate
SMILES [?]:
CCOC(=O)c1c2c(sc1NC(=O)CC#N)CN(CC2)Cc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H21N3O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.3749
Area:619.412
Solvation:-5.11044
Coulombic:-45.8567
Bond Count [?]
All:29
Single:21
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:383.465
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.37
LogP (Chemaxon):3.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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