N-ethyl-1-[6-({2-[3-(methylsulfanyl)anilino]-2-oxoethyl}sulfanyl)pyrimidin-4-yl]piperidine-4-carboxamide
Chemical Structure Depiction of
N-ethyl-1-[6-({2-[3-(methylsulfanyl)anilino]-2-oxoethyl}sulfanyl)pyrimidin-4-yl]piperidine-4-carboxamide
N-ethyl-1-[6-({2-[3-(methylsulfanyl)anilino]-2-oxoethyl}sulfanyl)pyrimidin-4-yl]piperidine-4-carboxamide
Compound characteristics
Compound ID: | M779-1276 |
Compound Name: | N-ethyl-1-[6-({2-[3-(methylsulfanyl)anilino]-2-oxoethyl}sulfanyl)pyrimidin-4-yl]piperidine-4-carboxamide |
Molecular Weight: | 445.6 |
Molecular Formula: | C21 H27 N5 O2 S2 |
Smiles: | CCNC(C1CCN(CC1)c1cc(ncn1)SCC(Nc1cccc(c1)SC)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.3032 |
logD: | 3.3031 |
logSw: | -3.4779 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 69.514 |
InChI Key: | VWJSYXBDDOKKTQ-UHFFFAOYSA-N |