rel-(5aR,9aS)-7-[(3-phenyl-1H-pyrazol-4-yl)methyl]-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,9aS)-7-[(3-phenyl-1H-pyrazol-4-yl)methyl]-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
rel-(5aR,9aS)-7-[(3-phenyl-1H-pyrazol-4-yl)methyl]-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Compound characteristics
| Compound ID: | SB16-0811 |
| Compound Name: | rel-(5aR,9aS)-7-[(3-phenyl-1H-pyrazol-4-yl)methyl]-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide |
| Molecular Weight: | 397.52 |
| Molecular Formula: | C22 H31 N5 O2 |
| Smiles: | CCCNC(N1CCOC[C@H]2CN(CC[C@@H]12)Cc1c[nH]nc1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4785 |
| logD: | 0.4575 |
| logSw: | -2.682 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.754 |
| InChI Key: | JBEIVGNJUIPQME-PMACEKPBSA-N |