8-(ethanesulfonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
8-(ethanesulfonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
8-(ethanesulfonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | S994-0424 |
| Compound Name: | 8-(ethanesulfonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 365.49 |
| Molecular Formula: | C18 H27 N3 O3 S |
| Smiles: | CCS(N1CCC2C(N(CCN2CC1)Cc1cccc(C)c1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5064 |
| logD: | 1.5064 |
| logSw: | -2.3205 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.031 |
| InChI Key: | XJCWKAQLYFTDBP-QGZVFWFLSA-N |