4-[4-(ethoxycarbonyl)piperazin-1-yl]-3-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[4-(ethoxycarbonyl)piperazin-1-yl]-3-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[4-(ethoxycarbonyl)piperazin-1-yl]-3-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0226 |
| Compound Name: | 4-[4-(ethoxycarbonyl)piperazin-1-yl]-3-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 589.59 |
| Molecular Formula: | C23 H29 N3 O6 S |
| Salt: | CF3COOH |
| Smiles: | CCOC(N1CCN(CC1)c1ccc(cc1NS(c1cc(C)c(C)cc1C)(=O)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8311 |
| logD: | 1.3906 |
| logSw: | -4.2658 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.53 |
| InChI Key: | YAZTZMQTNQWBRP-UHFFFAOYSA-N |