N-benzyl-2-(piperazin-1-yl)-5-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-benzyl-2-(piperazin-1-yl)-5-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxamide--trifluoroacetic acid (1/1)
N-benzyl-2-(piperazin-1-yl)-5-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L346-0558 |
| Compound Name: | N-benzyl-2-(piperazin-1-yl)-5-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 607.65 |
| Molecular Formula: | C26 H31 N5 O3 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cc(C)c(c(C)c1)S(Nc1cc(C(NCc2ccccc2)=O)c(nc1)N1CCNCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3332 |
| logD: | 4.3332 |
| logSw: | -4.0368 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.785 |
| InChI Key: | OKQZZHODWULTTE-UHFFFAOYSA-N |