4-{[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}benzoic acid
Chemical Structure Depiction of
4-{[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}benzoic acid
4-{[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}benzoic acid
Compound characteristics
| Compound ID: | D285-0342 |
| Compound Name: | 4-{[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}benzoic acid |
| Molecular Weight: | 363.39 |
| Molecular Formula: | C19 H13 N3 O3 S |
| Smiles: | C(c1ccc(cc1)C(O)=O)SC1NC(C(C#N)=C(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8931 |
| logD: | -0.4365 |
| logSw: | -3.4731 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.846 |
| InChI Key: | DALBJAQPFUGPCJ-UHFFFAOYSA-N |