4-(1,3-benzothiazol-2-yl)-1-[1-methyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)-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-[1-methyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
4-(1,3-benzothiazol-2-yl)-1-[1-methyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
Compound characteristics
| Compound ID: | S565-1264 |
| Compound Name: | 4-(1,3-benzothiazol-2-yl)-1-[1-methyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one |
| Molecular Weight: | 421.52 |
| Molecular Formula: | C21 H23 N7 O S |
| Smiles: | Cn1cnnc1c1c2CN(CCc2n(C)n1)C(CCCc1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5328 |
| logD: | 1.5276 |
| logSw: | -2.1111 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 66.167 |
| InChI Key: | BJPQAEGUDLBEBD-UHFFFAOYSA-N |