Chemical ID: 4100526

CC(C(=O)OCc1ccccc1Cl)n2cnc3c(c2=O)c(cs3)c4ccccc4
Chemical ID:
4100526
Name [?]:
(2-chlorophenyl)methyl 2-(5-oxo-7-phenyl-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl)propanoate
SMILES [?]:
CC(C(=O)OCc1ccccc1Cl)n2cnc3c(c2=O)c(cs3)c4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H17ClN2O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:12.9388
Area:629.047
Solvation:-2.78737
Coulombic:-45.063
Bond Count [?]
All:32
Single:21
Double:11
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:424.901
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.61
LogP (Chemaxon):5.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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