ethyl 3-({[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
ethyl 3-({[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoate
ethyl 3-({[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | D490-0883 |
| Compound Name: | ethyl 3-({[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 425.89 |
| Molecular Formula: | C21 H16 Cl N3 O3 S |
| Smiles: | CCOC(c1cccc(CSC2NC(C(C#N)=C(c3ccc(cc3)[Cl])N=2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5177 |
| logD: | 1.1881 |
| logSw: | -4.6958 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.192 |
| InChI Key: | IVBADERUADGEDP-UHFFFAOYSA-N |