Chemical ID: 6842480

Cc1cc(nc2c1c(c(s2)C(=O)Nc3cc(c(cc3OC)Cl)C)N)C
Chemical ID:
6842480
Name [?]:
7-amino-N-(4-chloro-2-methoxy-5-methyl-phenyl)-3,5-dimethyl-9-thia-2-azabicyclo[4.3.0]nona-1,3,5,7-tetraene-8-carboxamide
SMILES [?]:
Cc1cc(nc2c1c(c(s2)C(=O)Nc3cc(c(cc3OC)Cl)C)N)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H18ClN3O2S
All Atoms:43
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.1644
Area:565.05
Solvation:-2.96185
Coulombic:-51.3275
Bond Count [?]
All:27
Single:19
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:375.873
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:3.64
LogP (Chemaxon):4.25

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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