2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-5-[(thiophene-2-sulfonyl)amino]benzoic acid
Chemical Structure Depiction of
2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-5-[(thiophene-2-sulfonyl)amino]benzoic acid
2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-5-[(thiophene-2-sulfonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F290-0641 |
| Compound Name: | 2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-5-[(thiophene-2-sulfonyl)amino]benzoic acid |
| Molecular Weight: | 480.6 |
| Molecular Formula: | C21 H28 N4 O5 S2 |
| Smiles: | CCCCNC(CN1CCN(CC1)c1ccc(cc1C(O)=O)NS(c1cccs1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1385 |
| logD: | 1.0228 |
| logSw: | -3.4492 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.591 |
| InChI Key: | FGIJVPXMESCZMV-UHFFFAOYSA-N |