rel-(5aR,9aS)-7-[(2-chlorophenyl)methyl]-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,9aS)-7-[(2-chlorophenyl)methyl]-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
rel-(5aR,9aS)-7-[(2-chlorophenyl)methyl]-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Compound characteristics
| Compound ID: | SB16-0814 |
| Compound Name: | rel-(5aR,9aS)-7-[(2-chlorophenyl)methyl]-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide |
| Molecular Weight: | 365.9 |
| Molecular Formula: | C19 H28 Cl N3 O2 |
| Smiles: | CCCNC(N1CCOC[C@H]2CN(CC[C@@H]12)Cc1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0909 |
| logD: | 2.8114 |
| logSw: | -3.376 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.564 |
| InChI Key: | KMHZVNAJDYHUFW-FUHWJXTLSA-N |