N-butyl-5-[(3,4-dimethylbenzene-1-sulfonyl)amino]-2-(piperazin-1-yl)pyridine-3-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-butyl-5-[(3,4-dimethylbenzene-1-sulfonyl)amino]-2-(piperazin-1-yl)pyridine-3-carboxamide--trifluoroacetic acid (1/1)
N-butyl-5-[(3,4-dimethylbenzene-1-sulfonyl)amino]-2-(piperazin-1-yl)pyridine-3-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L346-0381 |
| Compound Name: | N-butyl-5-[(3,4-dimethylbenzene-1-sulfonyl)amino]-2-(piperazin-1-yl)pyridine-3-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 559.61 |
| Molecular Formula: | C22 H31 N5 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCCCNC(c1cc(cnc1N1CCNCC1)NS(c1ccc(C)c(C)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6422 |
| logD: | 2.1641 |
| logSw: | -3.6837 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.898 |
| InChI Key: | MMWHJSFEMYVGCK-UHFFFAOYSA-N |