3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-1-methyl-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-1-methyl-1H-indole-2-carboxylic acid
3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-1-methyl-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | C075-0100 |
| Compound Name: | 3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-1-methyl-1H-indole-2-carboxylic acid |
| Molecular Weight: | 435.48 |
| Molecular Formula: | C24 H25 N3 O5 |
| Smiles: | Cn1c(C(O)=O)c(CC(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 1.9675 |
| logD: | 1.9675 |
| logSw: | -2.3903 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.735 |
| InChI Key: | HDZLBIYAQNZSJS-UHFFFAOYSA-N |