4-(4-chlorophenyl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-chlorophenyl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
4-(4-chlorophenyl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
Compound ID: | D490-0880 |
Compound Name: | 4-(4-chlorophenyl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-6-oxo-1,6-dihydropyrimidine-5-carbonitrile |
Molecular Weight: | 317.79 |
Molecular Formula: | C15 H12 Cl N3 O S |
Smiles: | CC(=C)CSC1NC(C(C#N)=C(c2ccc(cc2)[Cl])N=1)=O |
Stereo: | ACHIRAL |
logP: | 3.6981 |
logD: | 0.0478 |
logSw: | -4.3448 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 51.71 |
InChI Key: | BRRMUIFJJZGWKT-UHFFFAOYSA-N |