N-[3-(azepane-1-carbonyl)-4-(piperazin-1-yl)phenyl]-2,4,5-trimethylbenzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[3-(azepane-1-carbonyl)-4-(piperazin-1-yl)phenyl]-2,4,5-trimethylbenzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-[3-(azepane-1-carbonyl)-4-(piperazin-1-yl)phenyl]-2,4,5-trimethylbenzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L268-0670 |
| Compound Name: | N-[3-(azepane-1-carbonyl)-4-(piperazin-1-yl)phenyl]-2,4,5-trimethylbenzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 598.68 |
| Molecular Formula: | C26 H36 N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cc(C)c(cc1C)S(Nc1ccc(c(c1)C(N1CCCCCC1)=O)N1CCNCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4181 |
| logD: | 2.9425 |
| logSw: | -4.158 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.979 |
| InChI Key: | HGSMKOSPQPHZJC-UHFFFAOYSA-N |