4-(4-tert-butylphenyl)-2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-tert-butylphenyl)-2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
4-(4-tert-butylphenyl)-2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D285-0301 |
| Compound Name: | 4-(4-tert-butylphenyl)-2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 458.58 |
| Molecular Formula: | C26 H26 N4 O2 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C1=C(C#N)C(NC(=N1)SCC(N1CCCc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0539 |
| logD: | 1.5009 |
| logSw: | -4.4474 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.495 |
| InChI Key: | RUILKTSSKQRMMZ-UHFFFAOYSA-N |