1-{6-[3-(2,5-dimethoxyphenyl)pyrrolidine-1-sulfonyl]-2,3-dihydro-4H-1,4-benzothiazin-4-yl}ethan-1-one
Chemical Structure Depiction of
1-{6-[3-(2,5-dimethoxyphenyl)pyrrolidine-1-sulfonyl]-2,3-dihydro-4H-1,4-benzothiazin-4-yl}ethan-1-one
1-{6-[3-(2,5-dimethoxyphenyl)pyrrolidine-1-sulfonyl]-2,3-dihydro-4H-1,4-benzothiazin-4-yl}ethan-1-one
Compound characteristics
| Compound ID: | F053-0675 |
| Compound Name: | 1-{6-[3-(2,5-dimethoxyphenyl)pyrrolidine-1-sulfonyl]-2,3-dihydro-4H-1,4-benzothiazin-4-yl}ethan-1-one |
| Molecular Weight: | 462.59 |
| Molecular Formula: | C22 H26 N2 O5 S2 |
| Smiles: | CC(N1CCSc2ccc(cc12)S(N1CCC(C1)c1cc(ccc1OC)OC)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4856 |
| logD: | 3.4856 |
| logSw: | -3.8565 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 63.204 |
| InChI Key: | FWCBNKYGRSZUBU-MRXNPFEDSA-N |