7-bromo-N-{5-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-2-yl}-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
7-bromo-N-{5-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-2-yl}-1-benzoxepine-4-carboxamide
7-bromo-N-{5-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-2-yl}-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0450 |
| Compound Name: | 7-bromo-N-{5-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-2-yl}-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 467.38 |
| Molecular Formula: | C23 H19 Br N2 O2 S |
| Smiles: | Cc1ccc(Cc2cnc(NC(C3C=COc4ccc(cc4C=3)[Br])=O)s2)cc1C |
| Stereo: | ACHIRAL |
| logP: | 7.2896 |
| logD: | 7.2859 |
| logSw: | -5.4792 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.251 |
| InChI Key: | ROJRMMJFEMGMOJ-UHFFFAOYSA-N |