4-(4-tert-butylphenyl)-6-(3,4-dimethoxyanilino)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-tert-butylphenyl)-6-(3,4-dimethoxyanilino)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-(4-tert-butylphenyl)-6-(3,4-dimethoxyanilino)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0029 |
| Compound Name: | 4-(4-tert-butylphenyl)-6-(3,4-dimethoxyanilino)-2-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 434.56 |
| Molecular Formula: | C24 H26 N4 O2 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1c(C#N)c(Nc2ccc(c(c2)OC)OC)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 6.0623 |
| logD: | 6.0623 |
| logSw: | -5.7447 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.9 |
| InChI Key: | BNKCXTUEYQMSHE-UHFFFAOYSA-N |