3-[(3,4-dimethylbenzene-1-sulfonyl)amino]-4-(4-propylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(3,4-dimethylbenzene-1-sulfonyl)amino]-4-(4-propylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
3-[(3,4-dimethylbenzene-1-sulfonyl)amino]-4-(4-propylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0080 |
| Compound Name: | 3-[(3,4-dimethylbenzene-1-sulfonyl)amino]-4-(4-propylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 545.58 |
| Molecular Formula: | C22 H29 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCN1CCN(CC1)c1ccc(cc1NS(c1ccc(C)c(C)c1)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5144 |
| logD: | 4.5144 |
| logSw: | -4.0311 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.54 |
| InChI Key: | SPNSQXKQYIIGKU-UHFFFAOYSA-N |