Chemical ID: 4155983

CC(C(=O)C)n1cnc2c(c1=O)c(cs2)c3ccc(cc3)Cl
Chemical ID:
4155983
Name [?]:
7-(4-chlorophenyl)-4-(1-methyl-2-oxo-propyl)-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-5-one
SMILES [?]:
CC(C(=O)C)n1cnc2c(c1=O)c(cs2)c3ccc(cc3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H13ClN2O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:9.74593
Area:505.579
Solvation:-2.89354
Coulombic:-30.4208
Bond Count [?]
All:24
Single:16
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:332.805
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.84
LogP (Chemaxon):3.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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