6-[(5-bromothiophene-2-sulfonyl)amino]-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
6-[(5-bromothiophene-2-sulfonyl)amino]-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
6-[(5-bromothiophene-2-sulfonyl)amino]-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0337 |
| Compound Name: | 6-[(5-bromothiophene-2-sulfonyl)amino]-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 634.82 |
| Molecular Formula: | C20 H21 Br N4 O4 S2 |
| Salt: | 3HCl |
| Smiles: | CCN1CCN(CC1)c1cc(C(O)=O)c2cc(ccc2n1)NS(c1ccc(s1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7091 |
| logD: | 4.7091 |
| logSw: | -4.2944 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.098 |
| InChI Key: | IYSPGFYTNFSOIQ-UHFFFAOYSA-N |