1-[(2-chloro-6-fluorophenyl)methyl]-2,5-dimethyl-4-({[(thiophen-2-yl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(2-chloro-6-fluorophenyl)methyl]-2,5-dimethyl-4-({[(thiophen-2-yl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
1-[(2-chloro-6-fluorophenyl)methyl]-2,5-dimethyl-4-({[(thiophen-2-yl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-1307 |
| Compound Name: | 1-[(2-chloro-6-fluorophenyl)methyl]-2,5-dimethyl-4-({[(thiophen-2-yl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 406.9 |
| Molecular Formula: | C20 H20 Cl F N2 O2 S |
| Smiles: | Cc1c(CNCc2cccs2)c(C(O)=O)c(C)n1Cc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 3.9773 |
| logD: | 3.9773 |
| logSw: | -4.1873 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 43.128 |
| InChI Key: | XMBAAVQZSKOEIC-UHFFFAOYSA-N |