3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1H-2-benzothiopyran-1-one
Chemical Structure Depiction of
3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1H-2-benzothiopyran-1-one
3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1H-2-benzothiopyran-1-one
Compound characteristics
| Compound ID: | Y043-8350 |
| Compound Name: | 3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1H-2-benzothiopyran-1-one |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C22 H21 N O4 S |
| Smiles: | COc1ccc(C2CCCN2C(C2=Cc3ccccc3C(=O)S2)=O)c(c1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9635 |
| logD: | 3.9635 |
| logSw: | -4.0937 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 44.843 |
| InChI Key: | WGKNYFNJDUBGIE-SFHVURJKSA-N |