rel-(5aR,9aR)-8-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione
Chemical Structure Depiction of
rel-(5aR,9aR)-8-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione
rel-(5aR,9aR)-8-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione
Compound characteristics
| Compound ID: | SD15-0419 |
| Compound Name: | rel-(5aR,9aR)-8-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione |
| Molecular Weight: | 343.42 |
| Molecular Formula: | C19 H25 N3 O3 |
| Smiles: | CN1CC(N(C)[C@@H]2CN(CC[C@@H]2C1=O)Cc1ccc2c(CCO2)c1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.2588 |
| logD: | -1.5015 |
| logSw: | -2.0187 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.591 |
| InChI Key: | IEDBOQZGYZEGMU-CVEARBPZSA-N |