3-[4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-5-(4-propylbenzene-1-sulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
Chemical Structure Depiction of
3-[4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-5-(4-propylbenzene-1-sulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
3-[4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-5-(4-propylbenzene-1-sulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
Compound characteristics
| Compound ID: | L888-0359 |
| Compound Name: | 3-[4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-5-(4-propylbenzene-1-sulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine |
| Molecular Weight: | 474.65 |
| Molecular Formula: | C22 H30 N6 O2 S2 |
| Smiles: | CCCc1ccc(cc1)S(N1CCc2c(C1)c(c1nnc(n1CC)SCC)nn2C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9583 |
| logD: | 3.9309 |
| logSw: | -3.9001 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.628 |
| InChI Key: | PDFUXQQNCIJGJM-UHFFFAOYSA-N |