8-methyl-N-{5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl}-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
8-methyl-N-{5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl}-1-benzoxepine-4-carboxamide
8-methyl-N-{5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl}-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D547-0162 |
| Compound Name: | 8-methyl-N-{5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl}-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 388.49 |
| Molecular Formula: | C23 H20 N2 O2 S |
| Smiles: | Cc1cccc(Cc2cnc(NC(C3C=COc4cc(C)ccc4C=3)=O)s2)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.8156 |
| logD: | 6.8119 |
| logSw: | -5.4189 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.251 |
| InChI Key: | ZQTNSQSISMWBTH-UHFFFAOYSA-N |