Chemical ID: 4493141

CC1(Cc2ccccc2C(=O)O1)C(=O)Nc3ncc(s3)Cc4cccc(c4)C(F)(F)F
Chemical ID:
4493141
Name [?]:
3-methyl-1-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]-isochroman-3-carboxamide
SMILES [?]:
CC1(Cc2ccccc2C(=O)O1)C(=O)Nc3ncc(s3)Cc4cccc(c4)C(F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H17F3N2O3S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.5308
Area:635.31
Solvation:-4.35192
Coulombic:-66.8513
Bond Count [?]
All:34
Single:24
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:446.443
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.63
LogP (Chemaxon):4.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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