1-oxo-3-phenyl-N-(5-{[4-(propan-2-yl)phenyl]methyl}-1,3-thiazol-2-yl)-3,4-dihydro-1H-2-benzopyran-6-carboxamide
Chemical Structure Depiction of
1-oxo-3-phenyl-N-(5-{[4-(propan-2-yl)phenyl]methyl}-1,3-thiazol-2-yl)-3,4-dihydro-1H-2-benzopyran-6-carboxamide
1-oxo-3-phenyl-N-(5-{[4-(propan-2-yl)phenyl]methyl}-1,3-thiazol-2-yl)-3,4-dihydro-1H-2-benzopyran-6-carboxamide
Compound characteristics
| Compound ID: | D136-0117 |
| Compound Name: | 1-oxo-3-phenyl-N-(5-{[4-(propan-2-yl)phenyl]methyl}-1,3-thiazol-2-yl)-3,4-dihydro-1H-2-benzopyran-6-carboxamide |
| Molecular Weight: | 482.6 |
| Molecular Formula: | C29 H26 N2 O3 S |
| Smiles: | CC(C)c1ccc(Cc2cnc(NC(c3ccc4C(=O)OC(Cc4c3)c3ccccc3)=O)s2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.3598 |
| logD: | 7.1666 |
| logSw: | -5.5661 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.179 |
| InChI Key: | UPCNQGXWKPQGFC-AREMUKBSSA-N |