methyl 3-[([(2H-1,3-benzodioxole-5-carbonyl)amino]{[(pyridin-2-yl)methyl]amino}methylidene)amino]benzoate
Chemical Structure Depiction of
methyl 3-[([(2H-1,3-benzodioxole-5-carbonyl)amino]{[(pyridin-2-yl)methyl]amino}methylidene)amino]benzoate
methyl 3-[([(2H-1,3-benzodioxole-5-carbonyl)amino]{[(pyridin-2-yl)methyl]amino}methylidene)amino]benzoate
Compound characteristics
| Compound ID: | L086-0870 |
| Compound Name: | methyl 3-[([(2H-1,3-benzodioxole-5-carbonyl)amino]{[(pyridin-2-yl)methyl]amino}methylidene)amino]benzoate |
| Molecular Weight: | 432.43 |
| Molecular Formula: | C23 H20 N4 O5 |
| Smiles: | COC(c1cccc(c1)/N=C(/NCc1ccccn1)NC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1193 |
| logD: | 3.0146 |
| logSw: | -3.4683 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.684 |
| InChI Key: | VIKQBCQIHDHQLJ-UHFFFAOYSA-N |