ethyl 3-({[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
ethyl 3-({[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoate
ethyl 3-({[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | D285-0200 |
| Compound Name: | ethyl 3-({[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 405.47 |
| Molecular Formula: | C22 H19 N3 O3 S |
| Smiles: | CCOC(c1cccc(CSC2NC(C(C#N)=C(c3ccc(C)cc3)N=2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3464 |
| logD: | 1.0168 |
| logSw: | -4.224 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.192 |
| InChI Key: | MPBOXDWGHYBOFO-UHFFFAOYSA-N |