8-[(4-chlorophenyl)acetyl]-2-[(3-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
Chemical Structure Depiction of
8-[(4-chlorophenyl)acetyl]-2-[(3-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
8-[(4-chlorophenyl)acetyl]-2-[(3-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
Compound characteristics
| Compound ID: | S993-0414 |
| Compound Name: | 8-[(4-chlorophenyl)acetyl]-2-[(3-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione |
| Molecular Weight: | 443.9 |
| Molecular Formula: | C23 H23 Cl F N3 O3 |
| Smiles: | C1CN(CCN2C1C(N(CC2=O)Cc1cccc(c1)F)=O)C(Cc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3396 |
| logD: | 2.3396 |
| logSw: | -3.0092 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.563 |
| InChI Key: | YCHFHXHYJMOAIP-HXUWFJFHSA-N |