rel-(5aR,9aS)-7-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,9aS)-7-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
rel-(5aR,9aS)-7-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Compound characteristics
| Compound ID: | SB16-0802 |
| Compound Name: | rel-(5aR,9aS)-7-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide |
| Molecular Weight: | 377.49 |
| Molecular Formula: | C19 H31 N5 O3 |
| Smiles: | CCCNC(N1CCOC[C@H]2CN(CC[C@@H]12)C(Cn1c(C)cc(C)n1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.4155 |
| logD: | 0.4151 |
| logSw: | -1.6539 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.96 |
| InChI Key: | ORCWFFSMZADGOO-IRXDYDNUSA-N |