N-benzyl-5-chloro-N-(4-ethoxyphenyl)-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-benzyl-5-chloro-N-(4-ethoxyphenyl)-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
N-benzyl-5-chloro-N-(4-ethoxyphenyl)-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
Compound characteristics
Compound ID: | D053-0456 |
Compound Name: | N-benzyl-5-chloro-N-(4-ethoxyphenyl)-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide |
Molecular Weight: | 473.98 |
Molecular Formula: | C23 H24 Cl N3 O4 S |
Smiles: | CCCS(c1ncc(c(C(N(Cc2ccccc2)c2ccc(cc2)OCC)=O)n1)[Cl])(=O)=O |
Stereo: | ACHIRAL |
logP: | 4.7785 |
logD: | 4.7785 |
logSw: | -4.7657 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 71.162 |
InChI Key: | MRJZCZODMKBMOL-UHFFFAOYSA-N |