1-[(4-fluorophenyl)methyl]-2,5-dimethyl-4-({[(3,4,5-triethoxyphenyl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(4-fluorophenyl)methyl]-2,5-dimethyl-4-({[(3,4,5-triethoxyphenyl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
1-[(4-fluorophenyl)methyl]-2,5-dimethyl-4-({[(3,4,5-triethoxyphenyl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-1863 |
| Compound Name: | 1-[(4-fluorophenyl)methyl]-2,5-dimethyl-4-({[(3,4,5-triethoxyphenyl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 498.59 |
| Molecular Formula: | C28 H35 F N2 O5 |
| Smiles: | CCOc1cc(CNCc2c(C(O)=O)c(C)n(Cc3ccc(cc3)F)c2C)cc(c1OCC)OCC |
| Stereo: | ACHIRAL |
| logP: | 4.382 |
| logD: | 4.382 |
| logSw: | -4.3735 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.827 |
| InChI Key: | SPAMKQMKTMKKQE-UHFFFAOYSA-N |