Chemical ID: 6897930

CC(C(=O)Nc1ccccc1)n2cnc3c(c2=O)c(cs3)c4ccc(cc4)Cl
Chemical ID:
6897930
Name [?]:
2-[7-(4-chlorophenyl)-5-oxo-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl]-N-phenyl-propanamide
SMILES [?]:
CC(C(=O)Nc1ccccc1)n2cnc3c(c2=O)c(cs3)c4ccc(cc4)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H16ClN3O2S
All Atoms:44
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:12.0007
Area:607.25
Solvation:-3.18051
Coulombic:-45.1119
Bond Count [?]
All:31
Single:20
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:409.889
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.93
LogP (Chemaxon):4.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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