methyl 3-[([(2H-1,3-benzodioxole-5-carbonyl)amino]{[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}methylidene)amino]benzoate
Chemical Structure Depiction of
methyl 3-[([(2H-1,3-benzodioxole-5-carbonyl)amino]{[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}methylidene)amino]benzoate
methyl 3-[([(2H-1,3-benzodioxole-5-carbonyl)amino]{[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}methylidene)amino]benzoate
Compound characteristics
| Compound ID: | F340-1685 |
| Compound Name: | methyl 3-[([(2H-1,3-benzodioxole-5-carbonyl)amino]{[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}methylidene)amino]benzoate |
| Molecular Weight: | 463.49 |
| Molecular Formula: | C24 H25 N5 O5 |
| Smiles: | Cc1c(CN\C(NC(c2ccc3c(c2)OCO3)=O)=N/c2cccc(c2)C(=O)OC)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.7757 |
| logD: | 2.6293 |
| logSw: | -3.3356 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.98 |
| InChI Key: | HYQZAZXUJRRZCZ-UHFFFAOYSA-N |