ethyl 4-{2-[(4-{[(4-methylphenyl)sulfanyl]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(4-{[(4-methylphenyl)sulfanyl]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(4-{[(4-methylphenyl)sulfanyl]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 3536-0105 |
| Compound Name: | ethyl 4-{2-[(4-{[(4-methylphenyl)sulfanyl]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 469.58 |
| Molecular Formula: | C23 H23 N3 O4 S2 |
| Smiles: | CCOC(c1ccc(cc1)NC(CSC1NC(C=C(CSc2ccc(C)cc2)N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4341 |
| logD: | 3.4854 |
| logSw: | -4.1206 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.538 |
| InChI Key: | CJLZYUFIDJLHTQ-UHFFFAOYSA-N |