ethyl 3-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-methylpyrimidine-5-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 3-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-methylpyrimidine-5-carbonyl)amino]benzoate
ethyl 3-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-methylpyrimidine-5-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | G415-4580 |
| Compound Name: | ethyl 3-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-methylpyrimidine-5-carbonyl)amino]benzoate |
| Molecular Weight: | 434.45 |
| Molecular Formula: | C23 H22 N4 O5 |
| Smiles: | CCOC(c1cccc(c1)NC(c1cnc(NCc2ccc3c(c2)OCO3)nc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7913 |
| logD: | 3.7848 |
| logSw: | -3.8894 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.237 |
| InChI Key: | WWMQGQLEONCEIM-UHFFFAOYSA-N |