N-(butan-2-yl)-5-[(4-tert-butylbenzene-1-sulfonyl)amino]-2-(piperazin-1-yl)pyridine-3-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-(butan-2-yl)-5-[(4-tert-butylbenzene-1-sulfonyl)amino]-2-(piperazin-1-yl)pyridine-3-carboxamide--trifluoroacetic acid (1/1)
N-(butan-2-yl)-5-[(4-tert-butylbenzene-1-sulfonyl)amino]-2-(piperazin-1-yl)pyridine-3-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L346-0478 |
| Compound Name: | N-(butan-2-yl)-5-[(4-tert-butylbenzene-1-sulfonyl)amino]-2-(piperazin-1-yl)pyridine-3-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 587.66 |
| Molecular Formula: | C24 H35 N5 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCC(C)NC(c1cc(cnc1N1CCNCC1)NS(c1ccc(cc1)C(C)(C)C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9856 |
| logD: | 2.5076 |
| logSw: | -3.907 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.498 |
| InChI Key: | KPIFPMZUOMTHKU-KRWDZBQOSA-N |