2-[(4-fluorophenyl)methyl]-9-(phenylmethanesulfonyl)octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
2-[(4-fluorophenyl)methyl]-9-(phenylmethanesulfonyl)octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
2-[(4-fluorophenyl)methyl]-9-(phenylmethanesulfonyl)octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | SD68-0795 |
| Compound Name: | 2-[(4-fluorophenyl)methyl]-9-(phenylmethanesulfonyl)octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 431.53 |
| Molecular Formula: | C22 H26 F N3 O3 S |
| Smiles: | C1CN2CCN(Cc3ccc(cc3)F)C(C2CN(C1)S(Cc1ccccc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7133 |
| logD: | 1.7133 |
| logSw: | -2.2674 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.693 |
| InChI Key: | VURIEEHDPVWASU-NRFANRHFSA-N |