6-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]quinolin-2(1H)-one
Chemical Structure Depiction of
6-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]quinolin-2(1H)-one
6-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]quinolin-2(1H)-one
Compound characteristics
| Compound ID: | E245-0878 |
| Compound Name: | 6-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]quinolin-2(1H)-one |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C21 H23 N3 O3 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)S(c1ccc2c(C=CC(N2)=O)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8908 |
| logD: | 3.8846 |
| logSw: | -3.9028 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.73 |
| InChI Key: | CBBVWGLSPYCDGE-UHFFFAOYSA-N |