8-(1,2-dimethyl-1H-imidazole-4-sulfonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
8-(1,2-dimethyl-1H-imidazole-4-sulfonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
8-(1,2-dimethyl-1H-imidazole-4-sulfonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | S994-0819 |
| Compound Name: | 8-(1,2-dimethyl-1H-imidazole-4-sulfonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 435.52 |
| Molecular Formula: | C20 H26 F N5 O3 S |
| Smiles: | Cc1nc(cn1C)S(N1CCC2C(N(CCN2CC1)Cc1ccc(cc1)F)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7133 |
| logD: | 0.7132 |
| logSw: | -2.1158 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.215 |
| InChI Key: | JXFQAEMHRXVUFR-GOSISDBHSA-N |