5-chloro-N-(2-methoxyphenyl)-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(2-methoxyphenyl)-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
5-chloro-N-(2-methoxyphenyl)-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
Compound characteristics
Compound ID: | D233-0126 |
Compound Name: | 5-chloro-N-(2-methoxyphenyl)-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide |
Molecular Weight: | 335.81 |
Molecular Formula: | C15 H14 Cl N3 O2 S |
Smiles: | [H]N(C(c1c(cnc(n1)SCC=C)[Cl])=O)c1ccccc1OC |
Stereo: | ACHIRAL |
logP: | 3.9483 |
logD: | 3.9187 |
logSw: | -4.1823 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 48.848 |
InChI Key: | CTSDDKLDJCDTAY-UHFFFAOYSA-N |