7-({[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-({[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-({[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G565-0096 |
| Compound Name: | 7-({[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 360.41 |
| Molecular Formula: | C14 H12 N6 O2 S2 |
| Smiles: | CC1=NN2C(=NC(CSc3nnc(c4ccco4)n3C)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 1.574 |
| logD: | 1.5715 |
| logSw: | -2.1424 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.106 |
| InChI Key: | UPELFBCQVHGABB-UHFFFAOYSA-N |