4-(3-methoxy-4-propoxyphenyl)-6-(4-methylpiperazin-1-yl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(3-methoxy-4-propoxyphenyl)-6-(4-methylpiperazin-1-yl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-(3-methoxy-4-propoxyphenyl)-6-(4-methylpiperazin-1-yl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0162 |
| Compound Name: | 4-(3-methoxy-4-propoxyphenyl)-6-(4-methylpiperazin-1-yl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 413.54 |
| Molecular Formula: | C21 H27 N5 O2 S |
| Smiles: | CCCOc1ccc(cc1OC)c1c(C#N)c(nc(n1)SC)N1CCN(C)CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.9884 |
| logD: | 3.7177 |
| logSw: | -4.2962 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.084 |
| InChI Key: | OIBHQODDBBWDKC-UHFFFAOYSA-N |