2-[(4-fluorophenyl)methyl]-8-[(3-methoxyphenyl)acetyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
2-[(4-fluorophenyl)methyl]-8-[(3-methoxyphenyl)acetyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
2-[(4-fluorophenyl)methyl]-8-[(3-methoxyphenyl)acetyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | S994-0827 |
| Compound Name: | 2-[(4-fluorophenyl)methyl]-8-[(3-methoxyphenyl)acetyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 425.5 |
| Molecular Formula: | C24 H28 F N3 O3 |
| Smiles: | COc1cccc(CC(N2CCC3C(N(CCN3CC2)Cc2ccc(cc2)F)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.334 |
| logD: | 2.3281 |
| logSw: | -2.5794 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.819 |
| InChI Key: | DNTQFVWIQHGEIF-QFIPXVFZSA-N |