2-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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: | G072-0247 |
| Compound Name: | 2-cyclopropyl-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: | 412.49 |
| Molecular Formula: | C18 H16 N6 O2 S2 |
| Smiles: | COc1cccc(c1)c1nnc([nH]1)SCC1=CC(N2C(=N1)SC(C1CC1)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9943 |
| logD: | 1.8177 |
| logSw: | -3.4585 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.573 |
| InChI Key: | AHBKHVBSGGOKEX-UHFFFAOYSA-N |