1-[(3-fluorophenyl)methyl]-6-methoxy-3-({[(thiophen-2-yl)methyl]amino}methyl)-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
1-[(3-fluorophenyl)methyl]-6-methoxy-3-({[(thiophen-2-yl)methyl]amino}methyl)-1H-indole-2-carboxylic acid
1-[(3-fluorophenyl)methyl]-6-methoxy-3-({[(thiophen-2-yl)methyl]amino}methyl)-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E847-0048 |
| Compound Name: | 1-[(3-fluorophenyl)methyl]-6-methoxy-3-({[(thiophen-2-yl)methyl]amino}methyl)-1H-indole-2-carboxylic acid |
| Molecular Weight: | 424.49 |
| Molecular Formula: | C23 H21 F N2 O3 S |
| Smiles: | COc1ccc2c(CNCc3cccs3)c(C(O)=O)n(Cc3cccc(c3)F)c2c1 |
| Stereo: | ACHIRAL |
| logP: | 4.1613 |
| logD: | 4.1613 |
| logSw: | -4.467 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.204 |
| InChI Key: | TXWNNNSRRSGHJK-UHFFFAOYSA-N |