N-(3-acetylphenyl)-2-{[5-(4-ethylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-2-{[5-(4-ethylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
N-(3-acetylphenyl)-2-{[5-(4-ethylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | G605-1022 |
Compound Name: | N-(3-acetylphenyl)-2-{[5-(4-ethylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide |
Molecular Weight: | 471.55 |
Molecular Formula: | C22 H21 N3 O5 S2 |
Smiles: | CCc1ccc(cc1)S(C1=CN=C(NC1=O)SCC(Nc1cccc(c1)C(C)=O)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.69 |
logD: | 1.0483 |
logSw: | -3.1022 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 100.967 |
InChI Key: | KKXGTUCFRNYWBM-UHFFFAOYSA-N |