N-(2H-1,3-benzodioxol-5-yl)-2-({5-[(2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-({5-[(2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-({5-[(2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | D483-1478 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-({5-[(2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 478.53 |
| Molecular Formula: | C23 H22 N6 O4 S |
| Smiles: | CC1C=CN2C(C=1)=NC(C)=C(Cc1nnc(n1C)SCC(Nc1ccc3c(c1)OCO3)=O)C2=O |
| Stereo: | ACHIRAL |
| logP: | 1.6923 |
| logD: | 1.6922 |
| logSw: | -2.5736 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.189 |
| InChI Key: | MPIPBDLKQQMPOZ-UHFFFAOYSA-N |