3-methyl-N-{5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl}-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide
Chemical Structure Depiction of
3-methyl-N-{5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl}-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide
3-methyl-N-{5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl}-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | D001-0043 |
| Compound Name: | 3-methyl-N-{5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl}-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C22 H20 N2 O3 S |
| Smiles: | Cc1ccccc1Cc1cnc(NC(C2(C)Cc3ccccc3C(=O)O2)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.581 |
| logD: | 5.5698 |
| logSw: | -5.33 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.748 |
| InChI Key: | NAXZABBFGXMLGM-QFIPXVFZSA-N |