4-(4-chlorophenyl)-2-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-chlorophenyl)-2-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
4-(4-chlorophenyl)-2-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0758 |
| Compound Name: | 4-(4-chlorophenyl)-2-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 450.73 |
| Molecular Formula: | C19 H10 Cl3 N3 O2 S |
| Smiles: | C(C(c1ccc(cc1[Cl])[Cl])=O)SC1NC(C(C#N)=C(c2ccc(cc2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8982 |
| logD: | 1.4927 |
| logSw: | -5.1008 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.685 |
| InChI Key: | QTQZHSLOWZJSQY-UHFFFAOYSA-N |