N-(butan-2-yl)-5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}-2-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-(butan-2-yl)-5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}-2-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
N-(butan-2-yl)-5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}-2-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L268-0479 |
| Compound Name: | N-(butan-2-yl)-5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}-2-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 586.67 |
| Molecular Formula: | C25 H36 N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCC(C)NC(c1cc(ccc1N1CCNCC1)NS(c1ccc(CC(C)C)cc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2344 |
| logD: | 2.7588 |
| logSw: | -4.0755 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.127 |
| InChI Key: | NNZYSJQQKUFIAO-IBGZPJMESA-N |