2-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-8-methoxy-3,5-dimethyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-8-methoxy-3,5-dimethyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-8-methoxy-3,5-dimethyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | L880-0291 |
| Compound Name: | 2-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-8-methoxy-3,5-dimethyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 495.58 |
| Molecular Formula: | C25 H26 F N5 O3 S |
| Smiles: | CN1C(=Nc2c3cc(ccc3n(C)c2C1=O)OC)SCC(N1CCN(CC1)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0525 |
| logD: | 3.0525 |
| logSw: | -3.3392 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.676 |
| InChI Key: | JSYJOGKITUTDIT-UHFFFAOYSA-N |