8-(4-fluorobenzene-1-sulfonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
8-(4-fluorobenzene-1-sulfonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
8-(4-fluorobenzene-1-sulfonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | S994-0826 |
| Compound Name: | 8-(4-fluorobenzene-1-sulfonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 435.49 |
| Molecular Formula: | C21 H23 F2 N3 O3 S |
| Smiles: | C1CN(CCN2CCN(Cc3ccc(cc3)F)C(C12)=O)S(c1ccc(cc1)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.283 |
| logD: | 2.2829 |
| logSw: | -2.5671 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.865 |
| InChI Key: | QWJJCBYOBCMBBX-HXUWFJFHSA-N |