3-[2-(4-methoxy-3-nitrophenyl)-1,3-thiazolidine-3-carbonyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[2-(4-methoxy-3-nitrophenyl)-1,3-thiazolidine-3-carbonyl]-2H-1-benzopyran-2-one
3-[2-(4-methoxy-3-nitrophenyl)-1,3-thiazolidine-3-carbonyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 3382-0455 |
| Compound Name: | 3-[2-(4-methoxy-3-nitrophenyl)-1,3-thiazolidine-3-carbonyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 412.42 |
| Molecular Formula: | C20 H16 N2 O6 S |
| Smiles: | COc1ccc(cc1[N+]([O-])=O)C1N(CCS1)C(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7138 |
| logD: | 2.7138 |
| logSw: | -3.2514 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.31 |
| InChI Key: | YNLBDXBHNVKRFK-IBGZPJMESA-N |