rel-(5aR,9aR)-8-[(furan-3-yl)methyl]-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione
Chemical Structure Depiction of
rel-(5aR,9aR)-8-[(furan-3-yl)methyl]-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione
rel-(5aR,9aR)-8-[(furan-3-yl)methyl]-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione
Compound characteristics
| Compound ID: | SD15-0472 |
| Compound Name: | rel-(5aR,9aR)-8-[(furan-3-yl)methyl]-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione |
| Molecular Weight: | 291.35 |
| Molecular Formula: | C15 H21 N3 O3 |
| Smiles: | CN1CC(N(C)[C@@H]2CN(CC[C@@H]2C1=O)Cc1ccoc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.6423 |
| logD: | -3.2288 |
| logSw: | -1.6942 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.156 |
| InChI Key: | XOPCVAGOSKUCJS-OLZOCXBDSA-N |