ethyl 4-{3-[(3,5-dimethylphenyl)carbamoyl]-4-fluorobenzene-1-sulfonyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{3-[(3,5-dimethylphenyl)carbamoyl]-4-fluorobenzene-1-sulfonyl}piperazine-1-carboxylate
ethyl 4-{3-[(3,5-dimethylphenyl)carbamoyl]-4-fluorobenzene-1-sulfonyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K784-0692 |
| Compound Name: | ethyl 4-{3-[(3,5-dimethylphenyl)carbamoyl]-4-fluorobenzene-1-sulfonyl}piperazine-1-carboxylate |
| Molecular Weight: | 463.53 |
| Molecular Formula: | C22 H26 F N3 O5 S |
| Smiles: | CCOC(N1CCN(CC1)S(c1ccc(c(c1)C(Nc1cc(C)cc(C)c1)=O)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7675 |
| logD: | 3.7663 |
| logSw: | -3.9234 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.821 |
| InChI Key: | BQNGQTDADSRAEO-UHFFFAOYSA-N |