ethyl 4-(2-{[5-(4-tert-butylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[5-(4-tert-butylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[5-(4-tert-butylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | C716-0868 |
| Compound Name: | ethyl 4-(2-{[5-(4-tert-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: | CCOC(c1ccc(cc1)NC(CSC1NC(C(=CN=1)S(c1ccc(cc1)C(C)(C)C)(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4144 |
| logD: | 2.7726 |
| logSw: | -4.0942 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.894 |
| InChI Key: | OADCNVDWULIIKA-UHFFFAOYSA-N |