rel-(5aR,9aS)-7-(1-ethyl-1H-pyrazole-3-carbonyl)-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,9aS)-7-(1-ethyl-1H-pyrazole-3-carbonyl)-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
rel-(5aR,9aS)-7-(1-ethyl-1H-pyrazole-3-carbonyl)-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Compound characteristics
| Compound ID: | SB16-0839 |
| Compound Name: | rel-(5aR,9aS)-7-(1-ethyl-1H-pyrazole-3-carbonyl)-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide |
| Molecular Weight: | 363.46 |
| Molecular Formula: | C18 H29 N5 O3 |
| Smiles: | CCCNC(N1CCOC[C@H]2CN(CC[C@@H]12)C(c1ccn(CC)n1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8708 |
| logD: | 0.8704 |
| logSw: | -1.9083 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.865 |
| InChI Key: | CGBJDMJFKFLRKS-HOCLYGCPSA-N |