9-(ethanesulfonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
9-(ethanesulfonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
9-(ethanesulfonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | SD68-0800 |
| Compound Name: | 9-(ethanesulfonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 369.46 |
| Molecular Formula: | C17 H24 F N3 O3 S |
| Smiles: | CCS(N1CCCN2CCN(Cc3ccc(cc3)F)C(C2C1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7489 |
| logD: | 0.7489 |
| logSw: | -2.1164 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.964 |
| InChI Key: | XBPHBMQRQSRBIV-INIZCTEOSA-N |