N-[(5-bromo-2-methoxyphenyl)methyl]-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
N-[(5-bromo-2-methoxyphenyl)methyl]-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
Compound characteristics
Compound ID: | E727-0215 |
Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide |
Molecular Weight: | 382.28 |
Molecular Formula: | C15 H16 Br N3 O2 S |
Smiles: | Cc1c(cnc(n1)SC)C(NCc1cc(ccc1OC)[Br])=O |
Stereo: | ACHIRAL |
logP: | 3.4822 |
logD: | 3.4819 |
logSw: | -3.7036 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 50.674 |
InChI Key: | DYBUPGBJNLVKSJ-UHFFFAOYSA-N |