Chemical ID: 5642183

COc1ccc(cc1OC)C=CC(=O)OCc2cc(=O)n3ccsc3n2
Chemical ID:
5642183
Name [?]:
(2-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5,8-trien-4-yl)methyl 3-(3,4-dimethoxyphenyl)prop-2-enoate
SMILES [?]:
COc1ccc(cc1OC)C=CC(=O)OCc2cc(=O)n3ccsc3n2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H16N2O5S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:7.54003
Area:576.541
Solvation:-6.8735
Coulombic:-54.2454
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:372.396
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.7
LogP (Chemaxon):2.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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