3-[(4-methoxybenzene-1-sulfonyl)amino]-4-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(4-methoxybenzene-1-sulfonyl)amino]-4-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
3-[(4-methoxybenzene-1-sulfonyl)amino]-4-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0443 |
| Compound Name: | 3-[(4-methoxybenzene-1-sulfonyl)amino]-4-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 611.59 |
| Molecular Formula: | C25 H27 N3 O6 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)c1ccc(cc1NS(c1ccc(cc1)OC)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6769 |
| logD: | 2.9164 |
| logSw: | -4.3026 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.098 |
| InChI Key: | VHVFVILYKSRSQJ-UHFFFAOYSA-N |