N-{5-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-2-yl}-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
N-{5-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-2-yl}-1-benzoxepine-4-carboxamide
N-{5-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-2-yl}-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0155 |
| Compound Name: | N-{5-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-2-yl}-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 388.49 |
| Molecular Formula: | C23 H20 N2 O2 S |
| Smiles: | Cc1cc(C)cc(Cc2cnc(NC(C3C=COc4ccccc4C=3)=O)s2)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.7428 |
| logD: | 6.7392 |
| logSw: | -5.4247 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.251 |
| InChI Key: | KSGMYOVAAKVFSB-UHFFFAOYSA-N |