1-ethyl-4-methyl-2-(2-{4-[(4-methylpiperidin-1-yl)methyl]anilino}-2-oxoethyl)-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-ethyl-4-methyl-2-(2-{4-[(4-methylpiperidin-1-yl)methyl]anilino}-2-oxoethyl)-1H-pyrrole-3-carboxylic acid
1-ethyl-4-methyl-2-(2-{4-[(4-methylpiperidin-1-yl)methyl]anilino}-2-oxoethyl)-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G955-0453 |
| Compound Name: | 1-ethyl-4-methyl-2-(2-{4-[(4-methylpiperidin-1-yl)methyl]anilino}-2-oxoethyl)-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 397.52 |
| Molecular Formula: | C23 H31 N3 O3 |
| Smiles: | CCn1cc(C)c(C(O)=O)c1CC(Nc1ccc(CN2CCC(C)CC2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0573 |
| logD: | 3.0573 |
| logSw: | -2.9535 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.993 |
| InChI Key: | VBIYYOFMYNIDJS-UHFFFAOYSA-N |