2-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-5-[(3-methylbenzene-1-sulfonyl)amino]benzoic acid
Chemical Structure Depiction of
2-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-5-[(3-methylbenzene-1-sulfonyl)amino]benzoic acid
2-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-5-[(3-methylbenzene-1-sulfonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F290-0711 |
| Compound Name: | 2-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-5-[(3-methylbenzene-1-sulfonyl)amino]benzoic acid |
| Molecular Weight: | 488.61 |
| Molecular Formula: | C24 H32 N4 O5 S |
| Smiles: | Cc1cccc(c1)S(Nc1ccc(c(c1)C(O)=O)N1CCN(CC1)CC(NC(C)(C)C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8831 |
| logD: | 1.7674 |
| logSw: | -3.8112 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.555 |
| InChI Key: | HBIIPDJVRKTMCO-UHFFFAOYSA-N |