5-{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}-2-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzoic acid
Chemical Structure Depiction of
5-{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}-2-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzoic acid
5-{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}-2-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F684-0492 |
| Compound Name: | 5-{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}-2-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzoic acid |
| Molecular Weight: | 602.63 |
| Molecular Formula: | C24 H32 N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cc(C)c(cc1C)S(Nc1ccc(cc1C(O)=O)N1CCN(CC1)CC(N(C)C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4455 |
| logD: | -1.4394 |
| logSw: | -2.8779 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.336 |
| InChI Key: | TZHABAHEMRJEPH-UHFFFAOYSA-N |