5-{3-[(3-chloro-2-methylanilino)methyl]-1H-indol-1-yl}thiophene-2-carboxylic acid
Chemical Structure Depiction of
5-{3-[(3-chloro-2-methylanilino)methyl]-1H-indol-1-yl}thiophene-2-carboxylic acid
5-{3-[(3-chloro-2-methylanilino)methyl]-1H-indol-1-yl}thiophene-2-carboxylic acid
Compound characteristics
| Compound ID: | G381-0069 |
| Compound Name: | 5-{3-[(3-chloro-2-methylanilino)methyl]-1H-indol-1-yl}thiophene-2-carboxylic acid |
| Molecular Weight: | 396.89 |
| Molecular Formula: | C21 H17 Cl N2 O2 S |
| Smiles: | Cc1c(cccc1[Cl])NCc1cn(c2ccccc12)c1ccc(C(O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.9558 |
| logD: | 1.2204 |
| logSw: | -5.557 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.744 |
| InChI Key: | MGRWISUIYQQNOQ-UHFFFAOYSA-N |