5-[(2,5-dimethylbenzene-1-sulfonyl)amino]-2-(piperazin-1-yl)-N-(propan-2-yl)pyridine-3-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(2,5-dimethylbenzene-1-sulfonyl)amino]-2-(piperazin-1-yl)-N-(propan-2-yl)pyridine-3-carboxamide--trifluoroacetic acid (1/1)
5-[(2,5-dimethylbenzene-1-sulfonyl)amino]-2-(piperazin-1-yl)-N-(propan-2-yl)pyridine-3-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L346-0254 |
| Compound Name: | 5-[(2,5-dimethylbenzene-1-sulfonyl)amino]-2-(piperazin-1-yl)-N-(propan-2-yl)pyridine-3-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 545.58 |
| Molecular Formula: | C21 H29 N5 O3 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)NC(c1cc(cnc1N1CCNCC1)NS(c1cc(C)ccc1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8311 |
| logD: | 2.8311 |
| logSw: | -3.2667 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.031 |
| InChI Key: | LGVVSPXUDACONZ-UHFFFAOYSA-N |