3-{3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-{3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-{3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | F797-0097 |
| Compound Name: | 3-{3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 419.46 |
| Molecular Formula: | C23 H22 F N5 O2 |
| Smiles: | C(CN1C=Nc2c3ccccc3[nH]c2C1=O)C(N1CCN(CC1)c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1272 |
| logD: | 2.1272 |
| logSw: | -2.7422 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.627 |
| InChI Key: | PTIOJLFVCMDBCZ-UHFFFAOYSA-N |