3-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-1H-indole-2-carboxylic acid
3-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | C197-0398 |
| Compound Name: | 3-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-1H-indole-2-carboxylic acid |
| Molecular Weight: | 408.41 |
| Molecular Formula: | C21 H20 N4 O5 |
| Smiles: | C(C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)c1c2ccccc2[nH]c1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2473 |
| logD: | -0.3072 |
| logSw: | -2.6745 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.529 |
| InChI Key: | AABVRAMPCNUXDC-UHFFFAOYSA-N |