9-(2,4-difluorobenzoyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
9-(2,4-difluorobenzoyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
9-(2,4-difluorobenzoyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | SD68-0679 |
| Compound Name: | 9-(2,4-difluorobenzoyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 413.47 |
| Molecular Formula: | C23 H25 F2 N3 O2 |
| Smiles: | Cc1cccc(CN2CCN3CCCN(CC3C2=O)C(c2ccc(cc2F)F)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0262 |
| logD: | 3.0255 |
| logSw: | -3.1347 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.736 |
| InChI Key: | LUFVDYLUUNAAQG-NRFANRHFSA-N |