N-ethyl-5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}-2-(piperazin-1-yl)pyridine-3-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-ethyl-5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}-2-(piperazin-1-yl)pyridine-3-carboxamide--trifluoroacetic acid (1/1)
N-ethyl-5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}-2-(piperazin-1-yl)pyridine-3-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L346-0413 |
| Compound Name: | N-ethyl-5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}-2-(piperazin-1-yl)pyridine-3-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 559.61 |
| Molecular Formula: | C22 H31 N5 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCNC(c1cc(cnc1N1CCNCC1)NS(c1ccc(CC(C)C)cc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2206 |
| logD: | 1.7425 |
| logSw: | -3.5768 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.682 |
| InChI Key: | VEGIFGXPDFOJSL-UHFFFAOYSA-N |