N-{5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl}-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide
Chemical Structure Depiction of
N-{5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl}-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide
N-{5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl}-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide
Compound characteristics
| Compound ID: | D136-0098 |
| Compound Name: | N-{5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl}-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide |
| Molecular Weight: | 454.55 |
| Molecular Formula: | C27 H22 N2 O3 S |
| Smiles: | Cc1cccc(Cc2cnc(NC(c3ccc4C(=O)OC(Cc4c3)c3ccccc3)=O)s2)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7138 |
| logD: | 6.5205 |
| logSw: | -5.5805 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.179 |
| InChI Key: | FWCPHLRZQZGIRJ-XMMPIXPASA-N |