N-[5-(azepane-1-carbonyl)-2-(piperazin-1-yl)phenyl]-3,4-dimethylbenzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[5-(azepane-1-carbonyl)-2-(piperazin-1-yl)phenyl]-3,4-dimethylbenzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-[5-(azepane-1-carbonyl)-2-(piperazin-1-yl)phenyl]-3,4-dimethylbenzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0335 |
| Compound Name: | N-[5-(azepane-1-carbonyl)-2-(piperazin-1-yl)phenyl]-3,4-dimethylbenzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 584.66 |
| Molecular Formula: | C25 H34 N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1C)S(Nc1cc(ccc1N1CCNCC1)C(N1CCCCCC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6775 |
| logD: | 3.6775 |
| logSw: | -3.8263 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.282 |
| InChI Key: | HIFHRUVTFDWJNV-UHFFFAOYSA-N |