methyl 3-[([(2H-1,3-benzodioxole-5-carbonyl)amino]{[(pyridin-4-yl)methyl]amino}methylidene)amino]benzoate
Chemical Structure Depiction of
methyl 3-[([(2H-1,3-benzodioxole-5-carbonyl)amino]{[(pyridin-4-yl)methyl]amino}methylidene)amino]benzoate
methyl 3-[([(2H-1,3-benzodioxole-5-carbonyl)amino]{[(pyridin-4-yl)methyl]amino}methylidene)amino]benzoate
Compound characteristics
| Compound ID: | F430-0483 |
| Compound Name: | methyl 3-[([(2H-1,3-benzodioxole-5-carbonyl)amino]{[(pyridin-4-yl)methyl]amino}methylidene)amino]benzoate |
| Molecular Weight: | 432.43 |
| Molecular Formula: | C23 H20 N4 O5 |
| Smiles: | COC(c1cccc(c1)/N=C(\NCc1ccncc1)NC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6726 |
| logD: | 2.614 |
| logSw: | -2.9396 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.569 |
| InChI Key: | OJLVYHULKQMTCS-UHFFFAOYSA-N |