2-[(4-chlorobenzene-1-sulfonyl)amino]-5-(4-cyclohexylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[(4-chlorobenzene-1-sulfonyl)amino]-5-(4-cyclohexylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
2-[(4-chlorobenzene-1-sulfonyl)amino]-5-(4-cyclohexylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0101 |
| Compound Name: | 2-[(4-chlorobenzene-1-sulfonyl)amino]-5-(4-cyclohexylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 592.03 |
| Molecular Formula: | C23 H28 Cl N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | C1CCC(CC1)N1CCN(CC1)c1ccc(c(c1)C(O)=O)NS(c1ccc(cc1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6423 |
| logD: | 4.6423 |
| logSw: | -4.5943 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.144 |
| InChI Key: | PHWUHCXOAUUWMI-UHFFFAOYSA-N |