6-[(4-methylbenzene-1-sulfonyl)amino]-2-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
6-[(4-methylbenzene-1-sulfonyl)amino]-2-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}quinoline-4-carboxylic acid--hydrogen chloride (1/3)
6-[(4-methylbenzene-1-sulfonyl)amino]-2-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0171 |
| Compound Name: | 6-[(4-methylbenzene-1-sulfonyl)amino]-2-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 647.02 |
| Molecular Formula: | C27 H31 N5 O5 S |
| Salt: | 3HCl |
| Smiles: | Cc1ccc(cc1)S(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)CC(N1CCCC1)=O)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9351 |
| logD: | 0.991 |
| logSw: | -3.8429 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.842 |
| InChI Key: | BEAFPWQKWWFJSW-UHFFFAOYSA-N |