N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carboxamide
Compound characteristics
| Compound ID: | S564-0840 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carboxamide |
| Molecular Weight: | 420.47 |
| Molecular Formula: | C22 H24 N6 O3 |
| Smiles: | C1CN(CCC1Cc1nnc(c2ccncc2)[nH]1)C(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5644 |
| logD: | 1.5411 |
| logSw: | -1.675 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.463 |
| InChI Key: | ACXCUKINMQFELJ-UHFFFAOYSA-N |