N-[5-(azepane-1-carbonyl)-2-(piperazin-1-yl)phenyl]-4-methylbenzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[5-(azepane-1-carbonyl)-2-(piperazin-1-yl)phenyl]-4-methylbenzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-[5-(azepane-1-carbonyl)-2-(piperazin-1-yl)phenyl]-4-methylbenzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0190 |
| Compound Name: | N-[5-(azepane-1-carbonyl)-2-(piperazin-1-yl)phenyl]-4-methylbenzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 570.63 |
| Molecular Formula: | C24 H32 N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1)S(Nc1cc(ccc1N1CCNCC1)C(N1CCCCCC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1721 |
| logD: | 3.1721 |
| logSw: | -3.6127 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.282 |
| InChI Key: | FPCMWGCQONYVSZ-UHFFFAOYSA-N |