2-butyl-7-({[5-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-butyl-7-({[5-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-butyl-7-({[5-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G072-0213 |
| Compound Name: | 2-butyl-7-({[5-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 378.52 |
| Molecular Formula: | C16 H22 N6 O S2 |
| Smiles: | CCCCC1=NN2C(=NC(CSc3nnc(CC(C)C)[nH]3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.2378 |
| logD: | 2.9084 |
| logSw: | -3.4406 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.943 |
| InChI Key: | YURPOGTZHVOGKG-UHFFFAOYSA-N |