rel-(5aR,9aR)-8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione
Chemical Structure Depiction of
rel-(5aR,9aR)-8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione
rel-(5aR,9aR)-8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione
Compound characteristics
| Compound ID: | SD15-0460 |
| Compound Name: | rel-(5aR,9aR)-8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione |
| Molecular Weight: | 320.39 |
| Molecular Formula: | C16 H24 N4 O3 |
| Smiles: | Cc1c(CN2CC[C@@H]3C(N(C)CC(N(C)[C@@H]3C2)=O)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.6149 |
| logD: | -3.1726 |
| logSw: | -0.8041 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.391 |
| InChI Key: | FVDWIQYTWCBFJE-OCCSQVGLSA-N |