3-methyl-1-oxo-N-(5-{[3-(trifluoromethyl)phenyl]methyl}-1,3-thiazol-2-yl)-3,4-dihydro-1H-2-benzopyran-3-carboxamide
Chemical Structure Depiction of
3-methyl-1-oxo-N-(5-{[3-(trifluoromethyl)phenyl]methyl}-1,3-thiazol-2-yl)-3,4-dihydro-1H-2-benzopyran-3-carboxamide
3-methyl-1-oxo-N-(5-{[3-(trifluoromethyl)phenyl]methyl}-1,3-thiazol-2-yl)-3,4-dihydro-1H-2-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | D001-0057 |
| Compound Name: | 3-methyl-1-oxo-N-(5-{[3-(trifluoromethyl)phenyl]methyl}-1,3-thiazol-2-yl)-3,4-dihydro-1H-2-benzopyran-3-carboxamide |
| Molecular Weight: | 446.45 |
| Molecular Formula: | C22 H17 F3 N2 O3 S |
| Smiles: | CC1(Cc2ccccc2C(=O)O1)C(Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5902 |
| logD: | 5.579 |
| logSw: | -5.4897 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.748 |
| InChI Key: | RVTOUUPDAZHNCC-NRFANRHFSA-N |