1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(8-methoxy-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-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethan-1-one
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | M060-0551 |
| Compound Name: | 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 451.52 |
| Molecular Formula: | C23 H22 F N5 O2 S |
| Smiles: | COc1ccc2c(c1)c1c(c(ncn1)SCC(N1CCN(CC1)c1ccccc1F)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 3.4948 |
| logD: | 3.4936 |
| logSw: | -4.0173 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.395 |
| InChI Key: | INPJHKBXHXVKJQ-UHFFFAOYSA-N |