2-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-6-[(4-methylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
2-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-6-[(4-methylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
2-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-6-[(4-methylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0173 |
| Compound Name: | 2-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-6-[(4-methylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 649.04 |
| Molecular Formula: | C27 H33 N5 O5 S |
| Salt: | 3HCl |
| Smiles: | Cc1ccc(cc1)S(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)CC(NC(C)(C)C)=O)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0731 |
| logD: | 2.129 |
| logSw: | -4.5078 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.65 |
| InChI Key: | OIJMCBVEISRIBR-UHFFFAOYSA-N |