2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Chemical Structure Depiction of
2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Compound characteristics
Compound ID: | C510-0456 |
Compound Name: | 2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide |
Molecular Weight: | 474.49 |
Molecular Formula: | C18 H15 F N8 O3 S2 |
Smiles: | Cc1nnc(NC(CSc2nnc(CC3=CC(NC(N3)=O)=O)n2c2ccc(cc2)F)=O)s1 |
Stereo: | ACHIRAL |
logP: | 0.8616 |
logD: | 0.4121 |
logSw: | -2.261 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 121.478 |
InChI Key: | RYDLOGPLRUCKPS-UHFFFAOYSA-N |