8-(1-methyl-1H-imidazole-4-sulfonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
8-(1-methyl-1H-imidazole-4-sulfonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
8-(1-methyl-1H-imidazole-4-sulfonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | S994-0447 |
| Compound Name: | 8-(1-methyl-1H-imidazole-4-sulfonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C20 H27 N5 O3 S |
| Smiles: | Cc1cccc(CN2CCN3CCN(CCC3C2=O)S(c2cn(C)cn2)(=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9872 |
| logD: | 0.9871 |
| logSw: | -2.23 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.276 |
| InChI Key: | URBFTNIKKJISIF-GOSISDBHSA-N |