2-[(4-fluorophenyl)methyl]-8-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
2-[(4-fluorophenyl)methyl]-8-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
2-[(4-fluorophenyl)methyl]-8-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Compound characteristics
Compound ID: | S994-0907 |
Compound Name: | 2-[(4-fluorophenyl)methyl]-8-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one |
Molecular Weight: | 413.49 |
Molecular Formula: | C22 H28 F N5 O2 |
Smiles: | Cc1cnn(CCC(N2CCC3C(N(CCN3CC2)Cc2ccc(cc2)F)=O)=O)c1 |
Stereo: | RACEMIC MIXTURE |
logP: | 0.8307 |
logD: | 0.8257 |
logSw: | -1.3962 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 51.031 |
InChI Key: | QDGDEJNJCCPBEH-FQEVSTJZSA-N |