N-[5-(azepane-1-carbonyl)-2-(piperazin-1-yl)phenyl]-3,4-dimethoxybenzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[5-(azepane-1-carbonyl)-2-(piperazin-1-yl)phenyl]-3,4-dimethoxybenzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-[5-(azepane-1-carbonyl)-2-(piperazin-1-yl)phenyl]-3,4-dimethoxybenzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0259 |
| Compound Name: | N-[5-(azepane-1-carbonyl)-2-(piperazin-1-yl)phenyl]-3,4-dimethoxybenzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 616.66 |
| Molecular Formula: | C25 H34 N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(cc1OC)S(Nc1cc(ccc1N1CCNCC1)C(N1CCCCCC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2588 |
| logD: | 1.0587 |
| logSw: | -2.9869 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.543 |
| InChI Key: | YRRRWNQYJBCXIK-UHFFFAOYSA-N |