3-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-N-(4-methylphenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Chemical Structure Depiction of
3-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-N-(4-methylphenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
3-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-N-(4-methylphenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Compound characteristics
| Compound ID: | C201-1084 |
| Compound Name: | 3-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-N-(4-methylphenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide |
| Molecular Weight: | 475.53 |
| Molecular Formula: | C24 H21 N5 O4 S |
| Smiles: | Cc1ccc(cc1)NC(c1ccc2nnc(n2c1)SCC(Nc1ccc2c(c1)OCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7559 |
| logD: | 2.7558 |
| logSw: | -3.1693 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.116 |
| InChI Key: | LVHMTANFOLOOIO-UHFFFAOYSA-N |