8-(2,5-difluorobenzoyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
8-(2,5-difluorobenzoyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
8-(2,5-difluorobenzoyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | S994-0439 |
| Compound Name: | 8-(2,5-difluorobenzoyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 413.47 |
| Molecular Formula: | C23 H25 F2 N3 O2 |
| Smiles: | Cc1cccc(CN2CCN3CCN(CCC3C2=O)C(c2cc(ccc2F)F)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.046 |
| logD: | 3.0452 |
| logSw: | -3.116 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.802 |
| InChI Key: | KOMDDTFSICGYKS-OAQYLSRUSA-N |