8-(2,6-dimethoxypyridine-3-carbonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
8-(2,6-dimethoxypyridine-3-carbonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
8-(2,6-dimethoxypyridine-3-carbonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | S994-0822 |
| Compound Name: | 8-(2,6-dimethoxypyridine-3-carbonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 442.49 |
| Molecular Formula: | C23 H27 F N4 O4 |
| Smiles: | COc1ccc(C(N2CCC3C(N(CCN3CC2)Cc2ccc(cc2)F)=O)=O)c(n1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2391 |
| logD: | 2.2383 |
| logSw: | -2.6941 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.164 |
| InChI Key: | KVYCSNXKUPDZQP-IBGZPJMESA-N |