rel-(5aR,9aR)-1,4-dimethyl-8-[(5-methylthiophen-2-yl)methyl]octahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione
Chemical Structure Depiction of
rel-(5aR,9aR)-1,4-dimethyl-8-[(5-methylthiophen-2-yl)methyl]octahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione
rel-(5aR,9aR)-1,4-dimethyl-8-[(5-methylthiophen-2-yl)methyl]octahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione
Compound characteristics
| Compound ID: | SD15-0426 |
| Compound Name: | rel-(5aR,9aR)-1,4-dimethyl-8-[(5-methylthiophen-2-yl)methyl]octahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione |
| Molecular Weight: | 321.44 |
| Molecular Formula: | C16 H23 N3 O2 S |
| Smiles: | Cc1ccc(CN2CC[C@@H]3C(N(C)CC(N(C)[C@@H]3C2)=O)=O)s1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6512 |
| logD: | -1.1774 |
| logSw: | -2.1896 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.371 |
| InChI Key: | ODCPEMAWNWZZHW-KBPBESRZSA-N |