2-benzyl-8-(ethanesulfonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
2-benzyl-8-(ethanesulfonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
2-benzyl-8-(ethanesulfonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | S994-0322 |
| Compound Name: | 2-benzyl-8-(ethanesulfonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 351.47 |
| Molecular Formula: | C17 H25 N3 O3 S |
| Smiles: | CCS(N1CCC2C(N(CCN2CC1)Cc1ccccc1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8599 |
| logD: | 0.8598 |
| logSw: | -2.0105 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.031 |
| InChI Key: | UPNOPXQNEYNHMK-MRXNPFEDSA-N |