methyl 2-{[3-(1,3-benzothiazol-2-yl)-2-oxo-2H-1-benzopyran-7-yl]oxy}propanoate
Chemical Structure Depiction of
methyl 2-{[3-(1,3-benzothiazol-2-yl)-2-oxo-2H-1-benzopyran-7-yl]oxy}propanoate
methyl 2-{[3-(1,3-benzothiazol-2-yl)-2-oxo-2H-1-benzopyran-7-yl]oxy}propanoate
Compound characteristics
| Compound ID: | 4356-0579 |
| Compound Name: | methyl 2-{[3-(1,3-benzothiazol-2-yl)-2-oxo-2H-1-benzopyran-7-yl]oxy}propanoate |
| Molecular Weight: | 381.41 |
| Molecular Formula: | C20 H15 N O5 S |
| Smiles: | CC(C(=O)OC)Oc1ccc2C=C(C(=O)Oc2c1)c1nc2ccccc2s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8514 |
| logD: | 3.8514 |
| logSw: | -4.1984 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.572 |
| InChI Key: | XXDODPNUDPIETE-NSHDSACASA-N |