8-(3-fluoro-4-methylbenzoyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
8-(3-fluoro-4-methylbenzoyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
8-(3-fluoro-4-methylbenzoyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | S994-0859 |
| Compound Name: | 8-(3-fluoro-4-methylbenzoyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 413.47 |
| Molecular Formula: | C23 H25 F2 N3 O2 |
| Smiles: | Cc1ccc(cc1F)C(N1CCC2C(N(CCN2CC1)Cc1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5392 |
| logD: | 2.5385 |
| logSw: | -2.5399 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.802 |
| InChI Key: | ZMLAUACNKOGBNK-OAQYLSRUSA-N |