2-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
2-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid
2-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G955-0330 |
| Compound Name: | 2-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 413.47 |
| Molecular Formula: | C22 H27 N3 O5 |
| Smiles: | CCn1cc(C)c(C(O)=O)c1CC(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7312 |
| logD: | 1.7312 |
| logSw: | -1.9218 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.159 |
| InChI Key: | NRSHKWXVJCAJJS-UHFFFAOYSA-N |