N-[5-(azepane-1-carbonyl)-2-(piperazin-1-yl)phenyl]-4-chlorobenzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[5-(azepane-1-carbonyl)-2-(piperazin-1-yl)phenyl]-4-chlorobenzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-[5-(azepane-1-carbonyl)-2-(piperazin-1-yl)phenyl]-4-chlorobenzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0112 |
| Compound Name: | N-[5-(azepane-1-carbonyl)-2-(piperazin-1-yl)phenyl]-4-chlorobenzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 591.05 |
| Molecular Formula: | C23 H29 Cl N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | C1CCCN(CC1)C(c1ccc(c(c1)NS(c1ccc(cc1)[Cl])(=O)=O)N1CCNCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3435 |
| logD: | 3.3435 |
| logSw: | -3.9408 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.282 |
| InChI Key: | WBUXICYSTNDBDX-UHFFFAOYSA-N |