6-[(benzenesulfonyl)amino]-2-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
6-[(benzenesulfonyl)amino]-2-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}quinoline-4-carboxylic acid--hydrogen chloride (1/3)
6-[(benzenesulfonyl)amino]-2-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0095 |
| Compound Name: | 6-[(benzenesulfonyl)amino]-2-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 635.01 |
| Molecular Formula: | C26 H31 N5 O5 S |
| Salt: | 3HCl |
| Smiles: | CC(C)(C)NC(CN1CCN(CC1)c1cc(C(O)=O)c2cc(ccc2n1)NS(c1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4647 |
| logD: | 1.5206 |
| logSw: | -4.1191 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.65 |
| InChI Key: | VBKNHFHYMSESPK-UHFFFAOYSA-N |