N-[3-(azepane-1-carbonyl)-4-(piperazin-1-yl)phenyl]-2,4-dimethylbenzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[3-(azepane-1-carbonyl)-4-(piperazin-1-yl)phenyl]-2,4-dimethylbenzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-[3-(azepane-1-carbonyl)-4-(piperazin-1-yl)phenyl]-2,4-dimethylbenzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L268-0397 |
| Compound Name: | N-[3-(azepane-1-carbonyl)-4-(piperazin-1-yl)phenyl]-2,4-dimethylbenzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 584.66 |
| Molecular Formula: | C25 H34 N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(c(C)c1)S(Nc1ccc(c(c1)C(N1CCCCCC1)=O)N1CCNCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9594 |
| logD: | 2.4839 |
| logSw: | -3.8915 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.979 |
| InChI Key: | SAFPGVAECGBODR-UHFFFAOYSA-N |