3-ethyl-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-8-methoxy-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-ethyl-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-8-methoxy-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-ethyl-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-8-methoxy-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | L880-0120 |
| Compound Name: | 3-ethyl-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-8-methoxy-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 425.48 |
| Molecular Formula: | C22 H20 F N3 O3 S |
| Smiles: | CCN1C(=Nc2c3cc(ccc3n(C)c2C1=O)OC)SCC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6774 |
| logD: | 3.6774 |
| logSw: | -4.09 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.229 |
| InChI Key: | QSCCSFXYKHIMRM-UHFFFAOYSA-N |