ethyl 3-(2-{[5-(4-butylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 3-(2-{[5-(4-butylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
ethyl 3-(2-{[5-(4-butylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | G605-0671 |
| Compound Name: | ethyl 3-(2-{[5-(4-butylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 529.63 |
| Molecular Formula: | C25 H27 N3 O6 S2 |
| Smiles: | CCCCc1ccc(cc1)S(C1=CN=C(NC1=O)SCC(Nc1cccc(c1)C(=O)OCC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7697 |
| logD: | 3.128 |
| logSw: | -4.4999 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.894 |
| InChI Key: | MSGLHJBPSRJRFF-UHFFFAOYSA-N |