8-(benzenesulfonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
8-(benzenesulfonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
8-(benzenesulfonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | S994-0814 |
| Compound Name: | 8-(benzenesulfonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 417.5 |
| Molecular Formula: | C21 H24 F N3 O3 S |
| Smiles: | C1CN(CCN2CCN(Cc3ccc(cc3)F)C(C12)=O)S(c1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0689 |
| logD: | 2.0688 |
| logSw: | -2.4364 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.865 |
| InChI Key: | PGYDQTLWDHTCMV-HXUWFJFHSA-N |