{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetic acid
{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | D623-0015 |
| Compound Name: | {[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetic acid |
| Molecular Weight: | 321.74 |
| Molecular Formula: | C13 H8 Cl N3 O3 S |
| Smiles: | C(C(O)=O)SC1NC(C(C#N)=C(c2ccc(cc2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5096 |
| logD: | -2.0434 |
| logSw: | -2.7599 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.094 |
| InChI Key: | SDRMFLNGPQLLOV-UHFFFAOYSA-N |