N-{5-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-2-yl}-7-methoxy-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
N-{5-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-2-yl}-7-methoxy-1-benzoxepine-4-carboxamide
N-{5-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-2-yl}-7-methoxy-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0882 |
| Compound Name: | N-{5-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-2-yl}-7-methoxy-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 418.51 |
| Molecular Formula: | C24 H22 N2 O3 S |
| Smiles: | Cc1ccc(Cc2cnc(NC(C3C=COc4ccc(cc4C=3)OC)=O)s2)cc1C |
| Stereo: | ACHIRAL |
| logP: | 6.5548 |
| logD: | 6.5511 |
| logSw: | -5.5035 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.794 |
| InChI Key: | LTPKBHQXVZUVLP-UHFFFAOYSA-N |