9-(3-fluorobenzene-1-sulfonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
9-(3-fluorobenzene-1-sulfonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
9-(3-fluorobenzene-1-sulfonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | SD68-0835 |
| Compound Name: | 9-(3-fluorobenzene-1-sulfonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 435.49 |
| Molecular Formula: | C21 H23 F2 N3 O3 S |
| Smiles: | C1CN2CCN(Cc3ccc(cc3)F)C(C2CN(C1)S(c1cccc(c1)F)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1844 |
| logD: | 2.1843 |
| logSw: | -2.6753 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.799 |
| InChI Key: | VNODOEORFVOUAS-FQEVSTJZSA-N |