propan-2-yl {[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
propan-2-yl {[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetate
propan-2-yl {[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | D285-0282 |
| Compound Name: | propan-2-yl {[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 343.4 |
| Molecular Formula: | C17 H17 N3 O3 S |
| Smiles: | CC(C)OC(CSC1NC(C(C#N)=C(c2ccc(C)cc2)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7376 |
| logD: | -0.8154 |
| logSw: | -3.1502 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.548 |
| InChI Key: | KLHFOPBJPWLNMS-UHFFFAOYSA-N |