rel-(5aR,9aS)-7-[(4-chlorophenyl)methanesulfonyl]-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,9aS)-7-[(4-chlorophenyl)methanesulfonyl]-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
rel-(5aR,9aS)-7-[(4-chlorophenyl)methanesulfonyl]-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Compound characteristics
| Compound ID: | SB16-0818 |
| Compound Name: | rel-(5aR,9aS)-7-[(4-chlorophenyl)methanesulfonyl]-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide |
| Molecular Weight: | 429.96 |
| Molecular Formula: | C19 H28 Cl N3 O4 S |
| Smiles: | CCCNC(N1CCOC[C@H]2CN(CC[C@@H]12)S(Cc1ccc(cc1)[Cl])(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3761 |
| logD: | 2.3759 |
| logSw: | -3.2851 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.437 |
| InChI Key: | YPOKXFNKYYKQIE-FUHWJXTLSA-N |