Chemical ID: 4160682

CCOC(=O)c1ccc(cc1)NC(=O)Cn2cnc3c(c2=O)c(cs3)c4ccc(c(c4)C)C
Chemical ID:
4160682
Name [?]:
ethyl 4-[2-[7-(3,4-dimethylphenyl)-5-oxo-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl]acetyl]aminobenzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NC(=O)Cn2cnc3c(c2=O)c(cs3)c4ccc(c(c4)C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H23N3O4S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:12.8618
Area:697.555
Solvation:-4.57709
Coulombic:-62.537
Bond Count [?]
All:36
Single:24
Double:12
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:461.534
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.02
LogP (Chemaxon):4.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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