Chemical ID: 4159083

CCOC(=O)c1c(c2c(s1)ncn(c2=O)CC(=O)Nc3cccc(c3)C(F)(F)F)C
Chemical ID:
4159083
Name [?]:
ethyl 9-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]carbamoylmethyl]-7-thia-3,5-diazabicyclo[4.3.0]nona-4,8,10-triene-8-carboxylate
SMILES [?]:
CCOC(=O)c1c(c2c(s1)ncn(c2=O)CC(=O)Nc3cccc(c3)C(F)(F)F)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H16F3N3O4S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.5673
Area:620.076
Solvation:-4.93464
Coulombic:-79.5455
Bond Count [?]
All:32
Single:23
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:439.409
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.94
LogP (Chemaxon):3.03

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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