Chemical ID: 6877182

COc1ccc(cc1OC)c2csc3c2c(=O)n(cn3)CC(=O)OCc4ccccc4
Chemical ID:
6877182
Name [?]:
benzyl 2-[7-(3,4-dimethoxyphenyl)-5-oxo-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl]acetate
SMILES [?]:
COc1ccc(cc1OC)c2csc3c2c(=O)n(cn3)CC(=O)OCc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H20N2O5S
All Atoms:51
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:9.47397
Area:658.904
Solvation:-6.99862
Coulombic:-55.882
Bond Count [?]
All:34
Single:23
Double:11
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:436.481
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.02
LogP (Chemaxon):3.49

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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