1-[(4-fluorophenyl)methyl]-3-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-1,4,5,6,7,7a-hexahydro-2H-indol-2-one
Chemical Structure Depiction of
1-[(4-fluorophenyl)methyl]-3-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-1,4,5,6,7,7a-hexahydro-2H-indol-2-one
1-[(4-fluorophenyl)methyl]-3-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-1,4,5,6,7,7a-hexahydro-2H-indol-2-one
Compound characteristics
| Compound ID: | S579-0747 |
| Compound Name: | 1-[(4-fluorophenyl)methyl]-3-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-1,4,5,6,7,7a-hexahydro-2H-indol-2-one |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C25 H28 F N5 O2 |
| Smiles: | C1CCC2C(C1)N(Cc1ccc(cc1)F)C(C=2CC(N1CCN(CC1)c1ncccn1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0263 |
| logD: | 3.0263 |
| logSw: | -3.0298 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.996 |
| InChI Key: | MDXKMVSTDIVCNJ-QFIPXVFZSA-N |