2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-5-[(2-methylbenzene-1-sulfonyl)amino]benzoic acid
Chemical Structure Depiction of
2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-5-[(2-methylbenzene-1-sulfonyl)amino]benzoic acid
2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-5-[(2-methylbenzene-1-sulfonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F290-0643 |
| Compound Name: | 2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-5-[(2-methylbenzene-1-sulfonyl)amino]benzoic acid |
| Molecular Weight: | 488.61 |
| Molecular Formula: | C24 H32 N4 O5 S |
| Smiles: | CCCCNC(CN1CCN(CC1)c1ccc(cc1C(O)=O)NS(c1ccccc1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5386 |
| logD: | 1.4229 |
| logSw: | -3.718 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.573 |
| InChI Key: | OLQKWLUEDPZLMW-UHFFFAOYSA-N |