8-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
8-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
8-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | S994-0905 |
| Compound Name: | 8-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C21 H26 F N5 O2 |
| Smiles: | Cc1cc(C(N2CCC3C(N(CCN3CC2)Cc2ccc(cc2)F)=O)=O)n(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6106 |
| logD: | 0.609 |
| logSw: | -1.6058 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.125 |
| InChI Key: | ZTWQHWMTLUBKPS-SFHVURJKSA-N |