ethyl 2-{2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoate
ethyl 2-{2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | D285-0125 |
| Compound Name: | ethyl 2-{2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 434.47 |
| Molecular Formula: | C22 H18 N4 O4 S |
| Smiles: | CCOC(c1ccccc1NC(CSC1NC(C(C#N)=C(c2ccccc2)N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9886 |
| logD: | -0.5644 |
| logSw: | -3.6061 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.644 |
| InChI Key: | RRBLBHXMUZAPKR-UHFFFAOYSA-N |