4-[bis(2-hydroxyethyl)amino]-6-(4-chlorophenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-[bis(2-hydroxyethyl)amino]-6-(4-chlorophenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-[bis(2-hydroxyethyl)amino]-6-(4-chlorophenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0331 |
| Compound Name: | 4-[bis(2-hydroxyethyl)amino]-6-(4-chlorophenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 364.85 |
| Molecular Formula: | C16 H17 Cl N4 O2 S |
| Smiles: | CSc1nc(c2ccc(cc2)[Cl])c(C#N)c(n1)N(CCO)CCO |
| Stereo: | ACHIRAL |
| logP: | 3.077 |
| logD: | 3.077 |
| logSw: | -3.608 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.575 |
| InChI Key: | WFERCNWLTHKLEM-UHFFFAOYSA-N |