9-(5-chloro-2-fluorobenzoyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
9-(5-chloro-2-fluorobenzoyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
9-(5-chloro-2-fluorobenzoyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | SD68-0821 |
| Compound Name: | 9-(5-chloro-2-fluorobenzoyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 433.88 |
| Molecular Formula: | C22 H22 Cl F2 N3 O2 |
| Smiles: | C1CN2CCN(Cc3ccc(cc3)F)C(C2CN(C1)C(c1cc(ccc1F)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.882 |
| logD: | 2.8813 |
| logSw: | -3.5496 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.736 |
| InChI Key: | CEKJSRKHHLHYEJ-FQEVSTJZSA-N |