2-[(5-chloro-2-methoxybenzene-1-sulfonyl)amino]-5-(4-ethylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[(5-chloro-2-methoxybenzene-1-sulfonyl)amino]-5-(4-ethylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
2-[(5-chloro-2-methoxybenzene-1-sulfonyl)amino]-5-(4-ethylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0366 |
| Compound Name: | 2-[(5-chloro-2-methoxybenzene-1-sulfonyl)amino]-5-(4-ethylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 567.97 |
| Molecular Formula: | C20 H24 Cl N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCN1CCN(CC1)c1ccc(c(c1)C(O)=O)NS(c1cc(ccc1OC)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8386 |
| logD: | 2.8386 |
| logSw: | -3.4218 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.218 |
| InChI Key: | VYBYVNJRMWMRCM-UHFFFAOYSA-N |