2-{[5-butyl-1-(3,4-dimethylphenyl)-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N,N-diethylacetamide
Chemical Structure Depiction of
2-{[5-butyl-1-(3,4-dimethylphenyl)-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N,N-diethylacetamide
2-{[5-butyl-1-(3,4-dimethylphenyl)-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N,N-diethylacetamide
Compound characteristics
| Compound ID: | Y010-0730 |
| Compound Name: | 2-{[5-butyl-1-(3,4-dimethylphenyl)-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N,N-diethylacetamide |
| Molecular Weight: | 417.57 |
| Molecular Formula: | C22 H31 N3 O3 S |
| Smiles: | CCCCC1=C(N=C(N(C1=O)c1ccc(C)c(C)c1)SCC(N(CC)CC)=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.4077 |
| logD: | 1.0124 |
| logSw: | -4.0333 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.007 |
| InChI Key: | BCGCEQMIAFUTKZ-UHFFFAOYSA-N |