methyl 4-(2-{[5-(4-tert-butylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[5-(4-tert-butylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[5-(4-tert-butylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | C716-0891 |
| Compound Name: | methyl 4-(2-{[5-(4-tert-butylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 515.61 |
| Molecular Formula: | C24 H25 N3 O6 S2 |
| Smiles: | CC(C)(C)c1ccc(cc1)S(C1=CN=C(NC1=O)SCC(Nc1ccc(cc1)C(=O)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9037 |
| logD: | 2.262 |
| logSw: | -4.0363 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.314 |
| InChI Key: | GUENVXUPAWUEDP-UHFFFAOYSA-N |