9-(3,4-difluorobenzoyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
9-(3,4-difluorobenzoyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
9-(3,4-difluorobenzoyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Compound characteristics
Compound ID: | SD68-0818 |
Compound Name: | 9-(3,4-difluorobenzoyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one |
Molecular Weight: | 417.43 |
Molecular Formula: | C22 H22 F3 N3 O2 |
Smiles: | C1CN2CCN(Cc3ccc(cc3)F)C(C2CN(C1)C(c1ccc(c(c1)F)F)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.2443 |
logD: | 2.2435 |
logSw: | -2.6602 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 36.736 |
InChI Key: | BKSFFQWEUCLQGJ-FQEVSTJZSA-N |