5-[(3-methylbenzene-1-sulfonyl)amino]-2-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid
Chemical Structure Depiction of
5-[(3-methylbenzene-1-sulfonyl)amino]-2-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid
5-[(3-methylbenzene-1-sulfonyl)amino]-2-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid
Compound characteristics
| Compound ID: | F290-0665 |
| Compound Name: | 5-[(3-methylbenzene-1-sulfonyl)amino]-2-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C23 H30 N4 O5 S |
| Smiles: | CCCNC(CN1CCN(CC1)c1ccc(cc1C(O)=O)NS(c1cccc(C)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1174 |
| logD: | 1.0017 |
| logSw: | -3.3763 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.573 |
| InChI Key: | HTDOZOTZCRTDDR-UHFFFAOYSA-N |