3-[(3,4-dimethoxybenzene-1-sulfonyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(3,4-dimethoxybenzene-1-sulfonyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
3-[(3,4-dimethoxybenzene-1-sulfonyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0024 |
| Compound Name: | 3-[(3,4-dimethoxybenzene-1-sulfonyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 549.52 |
| Molecular Formula: | C20 H25 N3 O6 S |
| Salt: | CF3COOH |
| Smiles: | CN1CCN(CC1)c1ccc(cc1NS(c1ccc(c(c1)OC)OC)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2835 |
| logD: | 2.2835 |
| logSw: | -2.8403 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.487 |
| InChI Key: | ORHPOIWWAFPSMA-UHFFFAOYSA-N |