N~4~-(2H-1,3-benzodioxol-5-yl)-N~3~-{(2S)-1-[(2H-1,3-benzodioxol-5-yl)amino]-3-methyl-1-oxobutan-2-yl}pyridine-3,4-dicarboxamide
Chemical Structure Depiction of
N~4~-(2H-1,3-benzodioxol-5-yl)-N~3~-{(2S)-1-[(2H-1,3-benzodioxol-5-yl)amino]-3-methyl-1-oxobutan-2-yl}pyridine-3,4-dicarboxamide
N~4~-(2H-1,3-benzodioxol-5-yl)-N~3~-{(2S)-1-[(2H-1,3-benzodioxol-5-yl)amino]-3-methyl-1-oxobutan-2-yl}pyridine-3,4-dicarboxamide
Compound characteristics
| Compound ID: | Y041-5033 |
| Compound Name: | N~4~-(2H-1,3-benzodioxol-5-yl)-N~3~-{(2S)-1-[(2H-1,3-benzodioxol-5-yl)amino]-3-methyl-1-oxobutan-2-yl}pyridine-3,4-dicarboxamide |
| Molecular Weight: | 504.5 |
| Molecular Formula: | C26 H24 N4 O7 |
| Smiles: | CC(C)[C@@H](C(Nc1ccc2c(c1)OCO2)=O)NC(c1cnccc1C(Nc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.0456 |
| logD: | 3.0332 |
| logSw: | -3.2435 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 114.207 |
| InChI Key: | IPDVNMWZNOJQNR-QHCPKHFHSA-N |