N-[(1H-benzimidazol-2-yl)methyl]-2-({5-[(2,9-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-[(1H-benzimidazol-2-yl)methyl]-2-({5-[(2,9-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-[(1H-benzimidazol-2-yl)methyl]-2-({5-[(2,9-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: | D483-1610 |
| Compound Name: | N-[(1H-benzimidazol-2-yl)methyl]-2-({5-[(2,9-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: | 488.57 |
| Molecular Formula: | C24 H24 N8 O2 S |
| Smiles: | CC1=CC=CN2C1=NC(C)=C(Cc1nnc(n1C)SCC(NCc1nc3ccccc3[nH]1)=O)C2=O |
| Stereo: | ACHIRAL |
| logP: | 1.4961 |
| logD: | 1.4948 |
| logSw: | -2.1216 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.698 |
| InChI Key: | FSKSFFIORVWGLW-UHFFFAOYSA-N |