1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethan-1-one
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | M060-0055 |
| Compound Name: | 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 421.49 |
| Molecular Formula: | C22 H20 F N5 O S |
| Smiles: | C1CN(CCN1C(CSc1c2c(c3ccccc3[nH]2)ncn1)=O)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 3.4278 |
| logD: | 3.4268 |
| logSw: | -3.7613 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.153 |
| InChI Key: | PCFLUSFMDTYBMM-UHFFFAOYSA-N |