Chemical ID: 4343075

CC1=C(Sc2ccc(cc2N1)C(F)(F)F)C(=O)OCC(C)C
Chemical ID:
4343075
Name [?]:
isobutyl 8-methyl-4-(trifluoromethyl)-10-thia-7-azabicyclo[4.4.0]deca-2,4,8,11-tetraene-9-carboxylate
SMILES [?]:
CC1=C(Sc2ccc(cc2N1)C(F)(F)F)C(=O)OCC(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H16F3NO2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.079
Area:492.623
Solvation:-2.23655
Coulombic:-51.1536
Bond Count [?]
All:23
Single:18
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:331.354
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.52
LogP (Chemaxon):3.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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