2-{[5-(4-tert-butylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-phenylacetamide
Chemical Structure Depiction of
2-{[5-(4-tert-butylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-phenylacetamide
2-{[5-(4-tert-butylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
Compound ID: | C716-0848 |
Compound Name: | 2-{[5-(4-tert-butylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-phenylacetamide |
Molecular Weight: | 457.57 |
Molecular Formula: | C22 H23 N3 O4 S2 |
Smiles: | CC(C)(C)c1ccc(cc1)S(C1=CN=C(NC1=O)SCC(Nc1ccccc1)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 3.6212 |
logD: | 1.9795 |
logSw: | -3.81 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 87.14 |
InChI Key: | BKAVHZPPCHASAI-UHFFFAOYSA-N |