8-methyl-N-[4-(propan-2-yl)phenyl]-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
8-methyl-N-[4-(propan-2-yl)phenyl]-1-benzoxepine-4-carboxamide
8-methyl-N-[4-(propan-2-yl)phenyl]-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D547-0147 |
| Compound Name: | 8-methyl-N-[4-(propan-2-yl)phenyl]-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 319.4 |
| Molecular Formula: | C21 H21 N O2 |
| Smiles: | CC(C)c1ccc(cc1)NC(C1C=COc2cc(C)ccc2C=1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0156 |
| logD: | 6.0156 |
| logSw: | -5.436 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.9542 |
| InChI Key: | ICIDYQMUCLHCKB-UHFFFAOYSA-N |