5-(4-tert-butylbenzene-1-sulfonyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
5-(4-tert-butylbenzene-1-sulfonyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
5-(4-tert-butylbenzene-1-sulfonyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
Compound ID: | C200-4959 |
Compound Name: | 5-(4-tert-butylbenzene-1-sulfonyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
Molecular Weight: | 324.42 |
Molecular Formula: | C14 H16 N2 O3 S2 |
Smiles: | CC(C)(C)c1ccc(cc1)S(C1=CNC(NC1=O)=S)(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.8305 |
logD: | 2.5568 |
logSw: | -3.5077 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 65.493 |
InChI Key: | SQBWITKKDQXUJW-UHFFFAOYSA-N |