2-(4-methylpiperazin-1-yl)-5-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzoic acid
Chemical Structure Depiction of
2-(4-methylpiperazin-1-yl)-5-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzoic acid
2-(4-methylpiperazin-1-yl)-5-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F290-0045 |
| Compound Name: | 2-(4-methylpiperazin-1-yl)-5-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzoic acid |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C21 H27 N3 O4 S |
| Smiles: | Cc1cc(C)c(cc1C)S(Nc1ccc(c(c1)C(O)=O)N1CCN(C)CC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9219 |
| logD: | 3.9219 |
| logSw: | -3.8432 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.924 |
| InChI Key: | MBUINYNDMQITQT-UHFFFAOYSA-N |