8-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
Chemical Structure Depiction of
8-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
8-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
Compound characteristics
| Compound ID: | S993-0876 |
| Compound Name: | 8-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione |
| Molecular Weight: | 409.49 |
| Molecular Formula: | C22 H27 N5 O3 |
| Smiles: | Cc1cccc(CN2CC(N3CCN(CCC3C2=O)C(c2cc(C)n(C)n2)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8078 |
| logD: | 0.8078 |
| logSw: | -1.446 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.577 |
| InChI Key: | ALBYVTBJHGRCIM-IBGZPJMESA-N |