1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethan-1-one
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | M060-0286 |
| Compound Name: | 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 439.49 |
| Molecular Formula: | C22 H19 F2 N5 O S |
| Smiles: | C1CN(CCN1C(CSc1c2c(c3cc(ccc3[nH]2)F)ncn1)=O)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 3.5351 |
| logD: | 3.5345 |
| logSw: | -3.9229 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.852 |
| InChI Key: | BWTRLIUCGMZXKG-UHFFFAOYSA-N |