rel-(5aR,9aS)-4-methyl-7-{[1-(propan-2-yl)-1H-indol-3-yl]methyl}octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Chemical Structure Depiction of
rel-(5aR,9aS)-4-methyl-7-{[1-(propan-2-yl)-1H-indol-3-yl]methyl}octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
rel-(5aR,9aS)-4-methyl-7-{[1-(propan-2-yl)-1H-indol-3-yl]methyl}octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Compound characteristics
| Compound ID: | SD14-0087 |
| Compound Name: | rel-(5aR,9aS)-4-methyl-7-{[1-(propan-2-yl)-1H-indol-3-yl]methyl}octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione |
| Molecular Weight: | 368.48 |
| Molecular Formula: | C21 H28 N4 O2 |
| Smiles: | CC(C)n1cc(CN2CC[C@@H]3[C@H](C2)C(N(C)CC(N3)=O)=O)c2ccccc12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4911 |
| logD: | -2.9037 |
| logSw: | -2.3608 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.808 |
| InChI Key: | OCQXJQBVOPZZAJ-MSOLQXFVSA-N |