2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-6-[(thiophene-2-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-6-[(thiophene-2-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-6-[(thiophene-2-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0327 |
| Compound Name: | 2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-6-[(thiophene-2-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 641.03 |
| Molecular Formula: | C24 H29 N5 O5 S2 |
| Salt: | 3HCl |
| Smiles: | CCCCNC(CN1CCN(CC1)c1cc(C(O)=O)c2cc(ccc2n1)NS(c1cccs1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2338 |
| logD: | 1.2897 |
| logSw: | -3.8873 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 109.686 |
| InChI Key: | UMPJMHIIMRSBSL-UHFFFAOYSA-N |