3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-ethyl-6-methyl-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-ethyl-6-methyl-1H-indole-2-carboxylic acid
3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-ethyl-6-methyl-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E518-1467 |
| Compound Name: | 3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-ethyl-6-methyl-1H-indole-2-carboxylic acid |
| Molecular Weight: | 366.42 |
| Molecular Formula: | C21 H22 N2 O4 |
| Smiles: | CCn1c(C(O)=O)c(CNCc2ccc3c(c2)OCO3)c2ccc(C)cc12 |
| Stereo: | ACHIRAL |
| logP: | 3.4536 |
| logD: | 3.4536 |
| logSw: | -3.6618 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.754 |
| InChI Key: | NHSWFMRPFRBQBN-UHFFFAOYSA-N |