8-(1-ethyl-1H-pyrazole-3-carbonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
8-(1-ethyl-1H-pyrazole-3-carbonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
8-(1-ethyl-1H-pyrazole-3-carbonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | S994-0900 |
| Compound Name: | 8-(1-ethyl-1H-pyrazole-3-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: | CCn1ccc(C(N2CCC3C(N(CCN3CC2)Cc2ccc(cc2)F)=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8885 |
| logD: | 0.8868 |
| logSw: | -1.5699 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.187 |
| InChI Key: | KWDUENVUDJZUIE-IBGZPJMESA-N |