N-[3-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[3-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-2H-1,3-benzodioxole-5-carboxamide
N-[3-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | S346-0227 |
| Compound Name: | N-[3-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 362.39 |
| Molecular Formula: | C20 H18 N4 O3 |
| Smiles: | C1CCn2c(C1)nnc2c1cccc(c1)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0931 |
| logD: | 3.0904 |
| logSw: | -3.3745 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.138 |
| InChI Key: | YSXRVHXQMUAKLL-UHFFFAOYSA-N |