rel-(5aR,9aS)-7-{5-[(4-methyl-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,9aS)-7-{5-[(4-methyl-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
rel-(5aR,9aS)-7-{5-[(4-methyl-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Compound characteristics
| Compound ID: | SB16-0833 |
| Compound Name: | rel-(5aR,9aS)-7-{5-[(4-methyl-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide |
| Molecular Weight: | 430.51 |
| Molecular Formula: | C21 H30 N6 O4 |
| Smiles: | CCCNC(N1CCOC[C@H]2CN(CC[C@@H]12)C(c1cc(Cn2cc(C)cn2)on1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4974 |
| logD: | 1.497 |
| logSw: | -2.013 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.963 |
| InChI Key: | RZSOOLLEXYKTOH-LPHOPBHVSA-N |