8-(1,2-dimethyl-1H-imidazole-4-sulfonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
Chemical Structure Depiction of
8-(1,2-dimethyl-1H-imidazole-4-sulfonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
8-(1,2-dimethyl-1H-imidazole-4-sulfonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
Compound characteristics
| Compound ID: | S993-0799 |
| Compound Name: | 8-(1,2-dimethyl-1H-imidazole-4-sulfonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C21 H27 N5 O4 S |
| Smiles: | Cc1cccc(CN2CC(N3CCN(CCC3C2=O)S(c2cn(C)c(C)n2)(=O)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7495 |
| logD: | 0.7495 |
| logSw: | -2.1292 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.503 |
| InChI Key: | XMLSMODLLLPGFG-GOSISDBHSA-N |