2-[(2-chloro-4-fluorobenzene-1-sulfonyl)amino]-5-{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[(2-chloro-4-fluorobenzene-1-sulfonyl)amino]-5-{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
2-[(2-chloro-4-fluorobenzene-1-sulfonyl)amino]-5-{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0537 |
| Compound Name: | 2-[(2-chloro-4-fluorobenzene-1-sulfonyl)amino]-5-{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 612.98 |
| Molecular Formula: | C21 H24 Cl F N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | CN(C)C(CN1CCN(CC1)c1ccc(c(c1)C(O)=O)NS(c1ccc(cc1[Cl])F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5863 |
| logD: | -2.2986 |
| logSw: | -2.9415 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.336 |
| InChI Key: | HDCSOZSOAMDSIC-UHFFFAOYSA-N |