N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]thiourea
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]thiourea
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]thiourea
Compound characteristics
| Compound ID: | C267-0394 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]thiourea |
| Molecular Weight: | 507.7 |
| Molecular Formula: | C28 H37 N5 O2 S |
| Smiles: | CCOc1ccc(CCNC(Nc2ccc3c(c2)c(C)cc(n3)N2CCN(C)CC2)=S)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 4.5634 |
| logD: | 3.9934 |
| logSw: | -4.3554 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.368 |
| InChI Key: | HISINWPIEKKBQO-UHFFFAOYSA-N |