Chemical ID: 6767109

CCCn1cnc2c(c1=O)c(c(s2)C(=O)Nc3ccccc3C(=O)OC)C
Chemical ID:
6767109
Name [?]:
methyl 2-[(7-methyl-5-oxo-4-propyl-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-8-yl)carbonylamino]benzoate
SMILES [?]:
CCCn1cnc2c(c1=O)c(c(s2)C(=O)Nc3ccccc3C(=O)OC)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H19N3O4S
All Atoms:46
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.5593
Area:582.988
Solvation:-3.01534
Coulombic:-63.9006
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:385.438
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.04
LogP (Chemaxon):3.24

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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