methyl 4-[6,7-dimethyl-3,9-dioxo-2-(1,3-thiazol-2-yl)-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl]benzoate
Chemical Structure Depiction of
methyl 4-[6,7-dimethyl-3,9-dioxo-2-(1,3-thiazol-2-yl)-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl]benzoate
methyl 4-[6,7-dimethyl-3,9-dioxo-2-(1,3-thiazol-2-yl)-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl]benzoate
Compound characteristics
| Compound ID: | 6872-4168 |
| Compound Name: | methyl 4-[6,7-dimethyl-3,9-dioxo-2-(1,3-thiazol-2-yl)-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl]benzoate |
| Molecular Weight: | 446.48 |
| Molecular Formula: | C24 H18 N2 O5 S |
| Smiles: | Cc1cc2C(C3C(c4ccc(cc4)C(=O)OC)N(C(C=3Oc2cc1C)=O)c1nccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7349 |
| logD: | 4.7349 |
| logSw: | -4.7152 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.548 |
| InChI Key: | OKAAZEGWWSDBKV-LJQANCHMSA-N |