N-butyl-N-methyl-2-(piperazin-1-yl)-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-butyl-N-methyl-2-(piperazin-1-yl)-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzamide--trifluoroacetic acid (1/1)
N-butyl-N-methyl-2-(piperazin-1-yl)-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L268-0466 |
| Compound Name: | N-butyl-N-methyl-2-(piperazin-1-yl)-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 586.67 |
| Molecular Formula: | C25 H36 N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(C)C(c1cc(ccc1N1CCNCC1)NS(c1ccc(cc1)C(C)C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0689 |
| logD: | 2.5934 |
| logSw: | -3.9891 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.401 |
| InChI Key: | YAWHRZFCKZXFNE-UHFFFAOYSA-N |