2-[(3-fluorophenyl)methyl]-8-(isoquinoline-1-carbonyl)octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
Chemical Structure Depiction of
2-[(3-fluorophenyl)methyl]-8-(isoquinoline-1-carbonyl)octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
2-[(3-fluorophenyl)methyl]-8-(isoquinoline-1-carbonyl)octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
Compound characteristics
| Compound ID: | S993-0426 |
| Compound Name: | 2-[(3-fluorophenyl)methyl]-8-(isoquinoline-1-carbonyl)octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione |
| Molecular Weight: | 446.48 |
| Molecular Formula: | C25 H23 F N4 O3 |
| Smiles: | C1CN(CCN2C1C(N(CC2=O)Cc1cccc(c1)F)=O)C(c1c2ccccc2ccn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7681 |
| logD: | 1.7681 |
| logSw: | -2.4747 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.637 |
| InChI Key: | KVGNPYBQHLIRHZ-NRFANRHFSA-N |