7-({[5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-(2-methylpropyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-({[5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-(2-methylpropyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-({[5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-(2-methylpropyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G072-0157 |
| Compound Name: | 7-({[5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-(2-methylpropyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 412.53 |
| Molecular Formula: | C19 H20 N6 O S2 |
| Smiles: | CC(C)CC1=NN2C(=NC(CSc3nnc(c4ccccc4C)[nH]3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.5457 |
| logD: | 2.0137 |
| logSw: | -3.7509 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.681 |
| InChI Key: | IGJGKGNWRYYCOU-UHFFFAOYSA-N |