8-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
Chemical Structure Depiction of
8-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
8-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
Compound characteristics
| Compound ID: | S993-0858 |
| Compound Name: | 8-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione |
| Molecular Weight: | 423.51 |
| Molecular Formula: | C23 H29 N5 O3 |
| Smiles: | Cc1cccc(CN2CC(N3CCN(CCC3C2=O)C(Cn2c(C)cc(C)n2)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.438 |
| logD: | 0.438 |
| logSw: | -1.4367 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.57 |
| InChI Key: | HLZCTQNGOQVDLK-FQEVSTJZSA-N |