N-[(1H-benzimidazol-2-yl)methyl]-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-[(1H-benzimidazol-2-yl)methyl]-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-[(1H-benzimidazol-2-yl)methyl]-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: | D483-1781 |
| Compound Name: | N-[(1H-benzimidazol-2-yl)methyl]-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: | 474.54 |
| Molecular Formula: | C23 H22 N8 O2 S |
| Smiles: | CC1=C(Cc2nnc(n2C)SCC(NCc2nc3ccccc3[nH]2)=O)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2051 |
| logD: | 1.2037 |
| logSw: | -1.9896 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.678 |
| InChI Key: | YELCHLCXDYRAEX-UHFFFAOYSA-N |