rel-(5aR,9aS)-7-[(1H-indol-3-yl)methyl]-4-methyloctahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Chemical Structure Depiction of
rel-(5aR,9aS)-7-[(1H-indol-3-yl)methyl]-4-methyloctahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
rel-(5aR,9aS)-7-[(1H-indol-3-yl)methyl]-4-methyloctahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Compound characteristics
| Compound ID: | SD14-0013 |
| Compound Name: | rel-(5aR,9aS)-7-[(1H-indol-3-yl)methyl]-4-methyloctahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione |
| Molecular Weight: | 326.4 |
| Molecular Formula: | C18 H22 N4 O2 |
| Smiles: | CN1CC(N[C@@H]2CCN(Cc3c[nH]c4ccccc34)C[C@@H]2C1=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.592 |
| logD: | -1.3462 |
| logSw: | -2.1171 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.883 |
| InChI Key: | YHPAWDZWVZUEJY-ZBFHGGJFSA-N |