propan-2-yl {[4-(4-tert-butylphenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
propan-2-yl {[4-(4-tert-butylphenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetate
propan-2-yl {[4-(4-tert-butylphenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | D490-0749 |
| Compound Name: | propan-2-yl {[4-(4-tert-butylphenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 385.48 |
| Molecular Formula: | C20 H23 N3 O3 S |
| Smiles: | CC(C)OC(CSC1NC(C(C#N)=C(c2ccc(cc2)C(C)(C)C)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1087 |
| logD: | 0.5557 |
| logSw: | -4.074 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.548 |
| InChI Key: | KIUUYNMQHZUOJI-UHFFFAOYSA-N |