Chemical ID: 6849920

CC(C)Oc1ccc(cc1)c2csc3c2c(=O)n(cn3)C(C)C(=O)OCc4ccccc4Cl
Chemical ID:
6849920
Name [?]:
(2-chlorophenyl)methyl 2-[7-(4-isopropoxyphenyl)-5-oxo-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl]propanoate
SMILES [?]:
CC(C)Oc1ccc(cc1)c2csc3c2c(=O)n(cn3)C(C)C(=O)OCc4ccccc4Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H23ClN2O4S
All Atoms:56
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:13.953
Area:711.532
Solvation:-3.83533
Coulombic:-51.9549
Bond Count [?]
All:36
Single:25
Double:11
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:482.98
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.41
LogP (Chemaxon):5.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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