N-(2H-1,3-benzodioxol-5-yl)-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-(2H-1,3-benzodioxol-5-yl)-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-(2H-1,3-benzodioxol-5-yl)-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: | D483-1816 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-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: | 464.5 |
| Molecular Formula: | C22 H20 N6 O4 S |
| Smiles: | CC1=C(Cc2nnc(n2C)SCC(Nc2ccc3c(c2)OCO3)=O)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.38 |
| logD: | 1.3799 |
| logSw: | -2.3444 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.189 |
| InChI Key: | MWJGTLGORYKOQN-UHFFFAOYSA-N |