3-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-N-[(4-methylphenyl)methyl][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)methyl][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)methyl][1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Compound characteristics
| Compound ID: | L860-0594 |
| Compound Name: | 3-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-N-[(4-methylphenyl)methyl][1,2,4]triazolo[4,3-a]pyridine-6-carboxamide |
| Molecular Weight: | 489.55 |
| Molecular Formula: | C25 H23 N5 O4 S |
| Smiles: | Cc1ccc(CNC(c2ccc3nnc(n3c2)SCC(Nc2ccc3c(c2)OCCO3)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.4218 |
| logD: | 2.4217 |
| logSw: | -2.7634 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.438 |
| InChI Key: | YPTSRTODUMZBSB-UHFFFAOYSA-N |