N-(5-benzyl-1,3-thiazol-2-yl)-7-methyl-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
N-(5-benzyl-1,3-thiazol-2-yl)-7-methyl-1-benzoxepine-4-carboxamide
N-(5-benzyl-1,3-thiazol-2-yl)-7-methyl-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D547-0052 |
| Compound Name: | N-(5-benzyl-1,3-thiazol-2-yl)-7-methyl-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 374.46 |
| Molecular Formula: | C22 H18 N2 O2 S |
| Smiles: | Cc1ccc2c(C=C(C=CO2)C(Nc2ncc(Cc3ccccc3)s2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.8823 |
| logD: | 5.8786 |
| logSw: | -5.3053 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.251 |
| InChI Key: | SRUAQZJZFRPILE-UHFFFAOYSA-N |