8-(3-fluorobenzene-1-sulfonyl)-2-[(3-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
Chemical Structure Depiction of
8-(3-fluorobenzene-1-sulfonyl)-2-[(3-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
8-(3-fluorobenzene-1-sulfonyl)-2-[(3-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
Compound characteristics
| Compound ID: | S993-1141 |
| Compound Name: | 8-(3-fluorobenzene-1-sulfonyl)-2-[(3-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione |
| Molecular Weight: | 449.48 |
| Molecular Formula: | C21 H21 F2 N3 O4 S |
| Smiles: | C1CN(CCN2C1C(N(CC2=O)Cc1cccc(c1)F)=O)S(c1cccc(c1)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8551 |
| logD: | 1.8551 |
| logSw: | -2.5158 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.153 |
| InChI Key: | FRYUTXFVUBESOC-LJQANCHMSA-N |