2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one
2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | M060-0305 |
| Compound Name: | 2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 451.52 |
| Molecular Formula: | C23 H22 F N5 O2 S |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(CSc1c2c(c3cc(ccc3[nH]2)F)ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4605 |
| logD: | 3.4599 |
| logSw: | -3.903 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.696 |
| InChI Key: | VWTIOXRHMPXJIV-UHFFFAOYSA-N |