N,N-diethyl-2-(piperazin-1-yl)-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}pyridine-3-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N,N-diethyl-2-(piperazin-1-yl)-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}pyridine-3-carboxamide--trifluoroacetic acid (1/1)
N,N-diethyl-2-(piperazin-1-yl)-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}pyridine-3-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L346-0404 |
| Compound Name: | N,N-diethyl-2-(piperazin-1-yl)-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}pyridine-3-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 573.63 |
| Molecular Formula: | C23 H33 N5 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCN(CC)C(c1cc(cnc1N1CCNCC1)NS(c1ccc(cc1)C(C)C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1485 |
| logD: | 1.6704 |
| logSw: | -3.3938 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.304 |
| InChI Key: | DXBLZKKJOYMZQZ-UHFFFAOYSA-N |