4-(4-butylanilino)-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-butylanilino)-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-(4-butylanilino)-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0374 |
| Compound Name: | 4-(4-butylanilino)-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 388.53 |
| Molecular Formula: | C23 H24 N4 S |
| Smiles: | CCCCc1ccc(cc1)Nc1c(C#N)c(c2ccc(C)cc2)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 7.1255 |
| logD: | 7.1255 |
| logSw: | -5.8655 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.639 |
| InChI Key: | KCJPWZPDGAXRGG-UHFFFAOYSA-N |