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-methyl-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-methyl-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-methyl-1,3,4-thiadiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | D483-1402 |
| 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-methyl-1,3,4-thiadiazol-2-yl)acetamide |
| Molecular Weight: | 456.55 |
| Molecular Formula: | C19 H20 N8 O2 S2 |
| Smiles: | CC1C=CN2C(C=1)=NC(C)=C(Cc1nnc(n1C)SCC(Nc1nnc(C)s1)=O)C2=O |
| Stereo: | ACHIRAL |
| logP: | 0.6864 |
| logD: | 0.6365 |
| logSw: | -1.8639 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.425 |
| InChI Key: | KUDBLMTYQIEXTM-UHFFFAOYSA-N |