4-(4-chlorophenyl)-6-oxo-2-sulfanyl-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-chlorophenyl)-6-oxo-2-sulfanyl-1,6-dihydropyrimidine-5-carbonitrile
4-(4-chlorophenyl)-6-oxo-2-sulfanyl-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0995 |
| Compound Name: | 4-(4-chlorophenyl)-6-oxo-2-sulfanyl-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 263.7 |
| Molecular Formula: | C11 H6 Cl N3 O S |
| Smiles: | C(C1=C(c2ccc(cc2)[Cl])N=C(NC1=O)S)#N |
| Stereo: | ACHIRAL |
| logP: | 2.0104 |
| logD: | -1.2892 |
| logSw: | -2.9889 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.67 |
| InChI Key: | XHPUHYGYTQUAMV-UHFFFAOYSA-N |