5-[3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1H-indol-1-yl]thiophene-2-carboxylic acid
Chemical Structure Depiction of
5-[3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1H-indol-1-yl]thiophene-2-carboxylic acid
5-[3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1H-indol-1-yl]thiophene-2-carboxylic acid
Compound characteristics
| Compound ID: | G381-0064 |
| Compound Name: | 5-[3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1H-indol-1-yl]thiophene-2-carboxylic acid |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C22 H18 N2 O4 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NCc1cn(c2ccccc12)c1ccc(C(O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.348 |
| logD: | 4.348 |
| logSw: | -4.1616 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.089 |
| InChI Key: | CINYOEFCMQWMSW-UHFFFAOYSA-N |