ethyl 4-(2-{[5-(4-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[5-(4-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[5-(4-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | C716-0072 |
| Compound Name: | ethyl 4-(2-{[5-(4-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 487.55 |
| Molecular Formula: | C22 H21 N3 O6 S2 |
| Smiles: | CCOC(c1ccc(cc1)NC(CSC1NC(C(=CN=1)S(c1ccc(C)cc1)(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0433 |
| logD: | 1.4015 |
| logSw: | -3.3914 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.894 |
| InChI Key: | BOIBYZKUPICEHA-UHFFFAOYSA-N |