8-(2,5-dimethylfuran-3-carbonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
8-(2,5-dimethylfuran-3-carbonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
8-(2,5-dimethylfuran-3-carbonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | S994-0823 |
| Compound Name: | 8-(2,5-dimethylfuran-3-carbonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 399.46 |
| Molecular Formula: | C22 H26 F N3 O3 |
| Smiles: | Cc1cc(C(N2CCC3C(N(CCN3CC2)Cc2ccc(cc2)F)=O)=O)c(C)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9565 |
| logD: | 1.9557 |
| logSw: | -2.6636 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.549 |
| InChI Key: | YLRKSXWDHAUNBO-FQEVSTJZSA-N |