butyl 3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}quinoxaline-2-carboxylate
Chemical Structure Depiction of
butyl 3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}quinoxaline-2-carboxylate
butyl 3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}quinoxaline-2-carboxylate
Compound characteristics
| Compound ID: | F218-7224 |
| Compound Name: | butyl 3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}quinoxaline-2-carboxylate |
| Molecular Weight: | 379.41 |
| Molecular Formula: | C21 H21 N3 O4 |
| Smiles: | CCCCOC(c1c(NCc2ccc3c(c2)OCO3)nc2ccccc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3538 |
| logD: | 4.3538 |
| logSw: | -4.2108 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.979 |
| InChI Key: | KHAAKRWREFVEBF-UHFFFAOYSA-N |