Chemical ID: 6231439

COc1ccc(cc1)n2c(c3c(n2)CS(=O)C3)NC(=O)c4ccc(cc4)Br
Chemical ID:
6231439
Name [?]:
4-bromo-N-[7-(4-methoxyphenyl)-3-oxo-3$l^{4}-thia-6,7-diazabicyclo[3.3.0]octa-5,8-dien-8-yl]-benzamide
SMILES [?]:
COc1ccc(cc1)n2c(c3c(n2)CS(=O)C3)NC(=O)c4ccc(cc4)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H16BrN3O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.63014
Area:588.155
Solvation:-5.07373
Coulombic:-35.6935
Bond Count [?]
All:30
Single:20
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:446.319
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.3
LogP (Chemaxon):2.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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