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)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
Chemical Structure Depiction of
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)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
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)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | D483-1403 |
| Compound Name: | 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)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide |
| Molecular Weight: | 470.57 |
| Molecular Formula: | C20 H22 N8 O2 S2 |
| Smiles: | CCc1nnc(NC(CSc2nnc(CC3=C(C)N=C4C=C(C)C=CN4C3=O)n2C)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 1.4505 |
| logD: | 1.4028 |
| logSw: | -2.0091 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.114 |
| InChI Key: | FYQIRUADAKPJGB-UHFFFAOYSA-N |