Chemical ID: 4159070

CCOC(=O)c1c(c2c(s1)ncn(c2=O)Cc3c(cccc3Cl)F)C
Chemical ID:
4159070
Name [?]:
ethyl 3-[(2-chloro-6-fluoro-phenyl)methyl]-9-methyl-2-oxo-7-thia-3,5-diazabicyclo[4.3.0]nona-4,8,10-triene-8-carboxylate
SMILES [?]:
CCOC(=O)c1c(c2c(s1)ncn(c2=O)Cc3c(cccc3Cl)F)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H14ClFN2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.2841
Area:535.962
Solvation:-3.1149
Coulombic:-46.1186
Bond Count [?]
All:27
Single:19
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:380.822
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.77
LogP (Chemaxon):3.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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