2-butyl-7-({[5-(4-methoxyphenyl)-4-methyl-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-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-butyl-7-({[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G565-0697 |
| Compound Name: | 2-butyl-7-({[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 442.56 |
| Molecular Formula: | C20 H22 N6 O2 S2 |
| Smiles: | CCCCC1=NN2C(=NC(CSc3nnc(c4ccc(cc4)OC)n3C)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.9545 |
| logD: | 3.954 |
| logSw: | -4.007 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.802 |
| InChI Key: | XGNHUDOPMNPYGI-UHFFFAOYSA-N |