6-methoxy-1-[(4-methylphenyl)methyl]-3-({[(thiophen-2-yl)methyl]amino}methyl)-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
6-methoxy-1-[(4-methylphenyl)methyl]-3-({[(thiophen-2-yl)methyl]amino}methyl)-1H-indole-2-carboxylic acid
6-methoxy-1-[(4-methylphenyl)methyl]-3-({[(thiophen-2-yl)methyl]amino}methyl)-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E518-0905 |
| Compound Name: | 6-methoxy-1-[(4-methylphenyl)methyl]-3-({[(thiophen-2-yl)methyl]amino}methyl)-1H-indole-2-carboxylic acid |
| Molecular Weight: | 420.53 |
| Molecular Formula: | C24 H24 N2 O3 S |
| Smiles: | Cc1ccc(Cn2c(C(O)=O)c(CNCc3cccs3)c3ccc(cc23)OC)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4625 |
| logD: | 4.4625 |
| logSw: | -4.4305 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.204 |
| InChI Key: | PTGJTYWCIPCWNA-UHFFFAOYSA-N |