N-butyl-N-methyl-2-(piperazin-1-yl)-5-[(4-propylbenzene-1-sulfonyl)amino]pyridine-3-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-butyl-N-methyl-2-(piperazin-1-yl)-5-[(4-propylbenzene-1-sulfonyl)amino]pyridine-3-carboxamide--trifluoroacetic acid (1/1)
N-butyl-N-methyl-2-(piperazin-1-yl)-5-[(4-propylbenzene-1-sulfonyl)amino]pyridine-3-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L346-0541 |
| Compound Name: | N-butyl-N-methyl-2-(piperazin-1-yl)-5-[(4-propylbenzene-1-sulfonyl)amino]pyridine-3-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 587.66 |
| Molecular Formula: | C24 H35 N5 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(C)C(c1cc(cnc1N1CCNCC1)NS(c1ccc(CCC)cc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7115 |
| logD: | 2.2335 |
| logSw: | -3.7366 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.772 |
| InChI Key: | AVOIEZGSEXEQSH-UHFFFAOYSA-N |