3-(1,3-benzothiazol-2-yl)-1-[3-(7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]propan-1-one
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-1-[3-(7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]propan-1-one
3-(1,3-benzothiazol-2-yl)-1-[3-(7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]propan-1-one
Compound characteristics
| Compound ID: | S585-0029 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-1-[3-(7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]propan-1-one |
| Molecular Weight: | 410.54 |
| Molecular Formula: | C21 H26 N6 O S |
| Smiles: | CN1CCn2c(C1)nnc2C1CCCN(C1)C(CCc1nc2ccccc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5966 |
| logD: | 1.5229 |
| logSw: | -2.1485 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.612 |
| InChI Key: | MELDCSURIISDQX-HNNXBMFYSA-N |