1-ethyl-2-(2-{[(3-fluorophenyl)methyl]amino}-2-oxoethyl)-4-methyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-ethyl-2-(2-{[(3-fluorophenyl)methyl]amino}-2-oxoethyl)-4-methyl-1H-pyrrole-3-carboxylic acid
1-ethyl-2-(2-{[(3-fluorophenyl)methyl]amino}-2-oxoethyl)-4-methyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C066-5620 |
| Compound Name: | 1-ethyl-2-(2-{[(3-fluorophenyl)methyl]amino}-2-oxoethyl)-4-methyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 318.35 |
| Molecular Formula: | C17 H19 F N2 O3 |
| Smiles: | CCn1cc(C)c(C(O)=O)c1CC(NCc1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0443 |
| logD: | 0.2451 |
| logSw: | -2.2218 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.582 |
| InChI Key: | QSXVDKAXCKFBJF-UHFFFAOYSA-N |