rel-(5aR,9aS)-7-[(5-methoxy-1H-indol-3-yl)methyl]-1-methyl-4-[(pyridin-3-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Chemical Structure Depiction of
rel-(5aR,9aS)-7-[(5-methoxy-1H-indol-3-yl)methyl]-1-methyl-4-[(pyridin-3-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
rel-(5aR,9aS)-7-[(5-methoxy-1H-indol-3-yl)methyl]-1-methyl-4-[(pyridin-3-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Compound characteristics
| Compound ID: | SD14-0674 |
| Compound Name: | rel-(5aR,9aS)-7-[(5-methoxy-1H-indol-3-yl)methyl]-1-methyl-4-[(pyridin-3-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione |
| Molecular Weight: | 447.54 |
| Molecular Formula: | C25 H29 N5 O3 |
| Smiles: | CN1C(CN(Cc2cccnc2)C([C@H]2CN(CC[C@@H]12)Cc1c[nH]c2ccc(cc12)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.539 |
| logD: | -0.8868 |
| logSw: | -1.7703 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.299 |
| InChI Key: | XETYGIVKVXRLSV-GGAORHGYSA-N |