3-{[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl]methyl}-1H-indole--oxalic acid (1/1)
Chemical Structure Depiction of
3-{[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl]methyl}-1H-indole--oxalic acid (1/1)
3-{[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl]methyl}-1H-indole--oxalic acid (1/1)
Compound characteristics
| Compound ID: | Y511-5243 |
| Compound Name: | 3-{[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl]methyl}-1H-indole--oxalic acid (1/1) |
| Molecular Weight: | 490.49 |
| Molecular Formula: | C19 H20 N4 O4 S |
| Salt: | HOOCCOOH |
| Smiles: | C1CN(CCN1Cc1c[nH]c2ccccc12)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.812 |
| logD: | 2.674 |
| logSw: | -3.325 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.74 |
| InChI Key: | BQAWSCRPVSHKFH-UHFFFAOYSA-N |