2-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-N-[(4-methylphenyl)methyl]-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Chemical Structure Depiction of
2-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-N-[(4-methylphenyl)methyl]-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
2-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-N-[(4-methylphenyl)methyl]-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Compound characteristics
| Compound ID: | L861-0646 |
| Compound Name: | 2-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-N-[(4-methylphenyl)methyl]-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide |
| Molecular Weight: | 473.49 |
| Molecular Formula: | C25 H23 N5 O5 |
| Smiles: | Cc1ccc(CNC(C2C=CC3=NN(CC(NCc4ccc5c(c4)OCO5)=O)C(N3C=2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2224 |
| logD: | 2.2216 |
| logSw: | -2.8824 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.8 |
| InChI Key: | SMKIARRWIBZMPH-UHFFFAOYSA-N |