2-butyl-7-({[5-(3-methoxyphenyl)-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-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-butyl-7-({[5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G072-0204 |
| Compound Name: | 2-butyl-7-({[5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 428.53 |
| Molecular Formula: | C19 H20 N6 O2 S2 |
| Smiles: | CCCCC1=NN2C(=NC(CSc3nnc(c4cccc(c4)OC)[nH]3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.7213 |
| logD: | 2.5447 |
| logSw: | -3.9636 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.225 |
| InChI Key: | CKQGEADDZXQHSH-UHFFFAOYSA-N |