rel-(5aR,9aR)-8-(1H-indole-3-carbonyl)-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione
Chemical Structure Depiction of
rel-(5aR,9aR)-8-(1H-indole-3-carbonyl)-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione
rel-(5aR,9aR)-8-(1H-indole-3-carbonyl)-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione
Compound characteristics
| Compound ID: | SD15-0415 |
| Compound Name: | rel-(5aR,9aR)-8-(1H-indole-3-carbonyl)-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione |
| Molecular Weight: | 354.41 |
| Molecular Formula: | C19 H22 N4 O3 |
| Smiles: | CN1CC(N(C)[C@@H]2CN(CC[C@@H]2C1=O)C(c1c[nH]c2ccccc12)=O)=O |
| Stereo: | RELATIVE |
| logP: | 0.2358 |
| logD: | 0.2358 |
| logSw: | -2.3409 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.14 |
| InChI Key: | HRGNZWLIUVIAEU-CJNGLKHVSA-N |