2-({4-(2,5-dimethylphenyl)-5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
Chemical Structure Depiction of
2-({4-(2,5-dimethylphenyl)-5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
2-({4-(2,5-dimethylphenyl)-5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
Compound characteristics
Compound ID: | C510-0196 |
Compound Name: | 2-({4-(2,5-dimethylphenyl)-5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide |
Molecular Weight: | 498.58 |
Molecular Formula: | C21 H22 N8 O3 S2 |
Smiles: | CCc1nnc(NC(CSc2nnc(CC3=CC(NC(N3)=O)=O)n2c2cc(C)ccc2C)=O)s1 |
Stereo: | ACHIRAL |
logP: | 2.5296 |
logD: | 2.0802 |
logSw: | -2.7946 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 121.866 |
InChI Key: | PKHHFXJWYYQGCL-UHFFFAOYSA-N |