N-butyl-2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-methylacetamide
Chemical Structure Depiction of
N-butyl-2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-methylacetamide
N-butyl-2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-methylacetamide
Compound characteristics
| Compound ID: | D285-0061 |
| Compound Name: | N-butyl-2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-methylacetamide |
| Molecular Weight: | 356.44 |
| Molecular Formula: | C18 H20 N4 O2 S |
| Smiles: | CCCCN(C)C(CSC1NC(C(C#N)=C(c2ccccc2)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1556 |
| logD: | -1.3974 |
| logSw: | -2.7425 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.583 |
| InChI Key: | LJJSQINPTZWVOA-UHFFFAOYSA-N |