2-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
2-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid
2-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G955-0372 |
| Compound Name: | 2-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 344.37 |
| Molecular Formula: | C18 H20 N2 O5 |
| Smiles: | CCn1cc(C)c(C(O)=O)c1CC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7934 |
| logD: | -0.0058 |
| logSw: | -2.0886 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.698 |
| InChI Key: | DNRHKDBNXNWOII-UHFFFAOYSA-N |