N-benzyl-5-[(2,5-dimethylbenzene-1-sulfonyl)amino]-N-methyl-2-(piperazin-1-yl)pyridine-3-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-benzyl-5-[(2,5-dimethylbenzene-1-sulfonyl)amino]-N-methyl-2-(piperazin-1-yl)pyridine-3-carboxamide--trifluoroacetic acid (1/1)
N-benzyl-5-[(2,5-dimethylbenzene-1-sulfonyl)amino]-N-methyl-2-(piperazin-1-yl)pyridine-3-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L346-0259 |
| Compound Name: | N-benzyl-5-[(2,5-dimethylbenzene-1-sulfonyl)amino]-N-methyl-2-(piperazin-1-yl)pyridine-3-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 607.65 |
| Molecular Formula: | C26 H31 N5 O3 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(C)c(c1)S(Nc1cc(C(N(C)Cc2ccccc2)=O)c(nc1)N1CCNCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7375 |
| logD: | 2.2594 |
| logSw: | -3.6238 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.522 |
| InChI Key: | WJZUCFLWEVCWII-UHFFFAOYSA-N |