propyl 4-({[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
propyl 4-({[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoate
propyl 4-({[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | D285-0201 |
| Compound Name: | propyl 4-({[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C23 H21 N3 O3 S |
| Smiles: | CCCOC(c1ccc(CSC2NC(C(C#N)=C(c3ccc(C)cc3)N=2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6865 |
| logD: | 1.3568 |
| logSw: | -4.3272 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.486 |
| InChI Key: | YZSIEQGLBUSNAJ-UHFFFAOYSA-N |