4-(1,3-benzothiazol-2-yl)-1-[3-(4-ethyl-4H-1,2,4-triazol-3-yl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
Chemical Structure Depiction of
4-(1,3-benzothiazol-2-yl)-1-[3-(4-ethyl-4H-1,2,4-triazol-3-yl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
4-(1,3-benzothiazol-2-yl)-1-[3-(4-ethyl-4H-1,2,4-triazol-3-yl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
Compound characteristics
| Compound ID: | S565-1352 |
| Compound Name: | 4-(1,3-benzothiazol-2-yl)-1-[3-(4-ethyl-4H-1,2,4-triazol-3-yl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one |
| Molecular Weight: | 435.55 |
| Molecular Formula: | C22 H25 N7 O S |
| Smiles: | CCn1cnnc1c1c2CN(CCc2n(C)n1)C(CCCc1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8464 |
| logD: | 1.8299 |
| logSw: | -2.2369 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 65.336 |
| InChI Key: | NOKVROUIWXYHNU-UHFFFAOYSA-N |