2-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
2-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
2-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G955-0106 |
| Compound Name: | 2-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-1,4-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 330.34 |
| Molecular Formula: | C17 H18 N2 O5 |
| Smiles: | Cc1cn(C)c(CC(NCc2ccc3c(c2)OCO3)=O)c1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4797 |
| logD: | -0.3195 |
| logSw: | -1.9877 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.529 |
| InChI Key: | GQVJNZULFDOEOC-UHFFFAOYSA-N |