N-butyl-5-[(2,4-dimethylbenzene-1-sulfonyl)amino]-N-ethyl-2-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-butyl-5-[(2,4-dimethylbenzene-1-sulfonyl)amino]-N-ethyl-2-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
N-butyl-5-[(2,4-dimethylbenzene-1-sulfonyl)amino]-N-ethyl-2-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L268-0401 |
| Compound Name: | N-butyl-5-[(2,4-dimethylbenzene-1-sulfonyl)amino]-N-ethyl-2-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 586.67 |
| Molecular Formula: | C25 H36 N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(CC)C(c1cc(ccc1N1CCNCC1)NS(c1ccc(C)cc1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4024 |
| logD: | 2.9268 |
| logSw: | -4.1064 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.186 |
| InChI Key: | RNBSICVKHYYPBD-UHFFFAOYSA-N |