N-benzyl-5-[(3,4-dimethylbenzene-1-sulfonyl)amino]-2-(piperazin-1-yl)pyridine-3-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-benzyl-5-[(3,4-dimethylbenzene-1-sulfonyl)amino]-2-(piperazin-1-yl)pyridine-3-carboxamide--trifluoroacetic acid (1/1)
N-benzyl-5-[(3,4-dimethylbenzene-1-sulfonyl)amino]-2-(piperazin-1-yl)pyridine-3-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L346-0361 |
| Compound Name: | N-benzyl-5-[(3,4-dimethylbenzene-1-sulfonyl)amino]-2-(piperazin-1-yl)pyridine-3-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 593.62 |
| Molecular Formula: | C25 H29 N5 O3 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1C)S(Nc1cc(C(NCc2ccccc2)=O)c(nc1)N1CCNCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8296 |
| logD: | 2.3516 |
| logSw: | -3.709 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.785 |
| InChI Key: | ULRQGJJGYICJHJ-UHFFFAOYSA-N |