5-(4-ethylpiperazin-1-yl)-2-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-(4-ethylpiperazin-1-yl)-2-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1)
5-(4-ethylpiperazin-1-yl)-2-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0379 |
| Compound Name: | 5-(4-ethylpiperazin-1-yl)-2-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 559.6 |
| Molecular Formula: | C23 H31 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCN1CCN(CC1)c1ccc(c(c1)C(O)=O)NS(c1ccc(CC(C)C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2337 |
| logD: | 4.2337 |
| logSw: | -3.9343 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.588 |
| InChI Key: | MKCRUJRGCZSVKF-UHFFFAOYSA-N |