N-(4-methoxyphenyl)-2-({4-methyl-5-[(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(4-methoxyphenyl)-2-({4-methyl-5-[(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(4-methoxyphenyl)-2-({4-methyl-5-[(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
Compound ID: | D483-1720 |
Compound Name: | N-(4-methoxyphenyl)-2-({4-methyl-5-[(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
Molecular Weight: | 450.52 |
Molecular Formula: | C22 H22 N6 O3 S |
Smiles: | CC1=C(Cc2nnc(n2C)SCC(Nc2ccc(cc2)OC)=O)C(N2C=CC=CC2=N1)=O |
Stereo: | ACHIRAL |
logP: | 1.5292 |
logD: | 1.5292 |
logSw: | -2.2048 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 81.618 |
InChI Key: | GCNRSNLMDLCUGE-UHFFFAOYSA-N |