1-[(2-chloro-4-fluorophenyl)methyl]-4-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(2-chloro-4-fluorophenyl)methyl]-4-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
1-[(2-chloro-4-fluorophenyl)methyl]-4-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-1101 |
| Compound Name: | 1-[(2-chloro-4-fluorophenyl)methyl]-4-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 418.94 |
| Molecular Formula: | C23 H28 Cl F N2 O2 |
| Smiles: | Cc1c(CNCCC2CCCCC=2)c(C(O)=O)c(C)n1Cc1ccc(cc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 4.6735 |
| logD: | 4.6735 |
| logSw: | -4.5177 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.144 |
| InChI Key: | AJBLILDFWAGBKZ-UHFFFAOYSA-N |