methyl 4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl]benzoate
Chemical Structure Depiction of
methyl 4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl]benzoate
methyl 4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl]benzoate
Compound characteristics
| Compound ID: | 6391-0098 |
| Compound Name: | methyl 4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-3,9-dioxo-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: | Cc1c(C)sc(n1)N1C(C2=C(C1=O)Oc1ccccc1C2=O)c1ccc(cc1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4759 |
| logD: | 4.4758 |
| logSw: | -4.6065 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.693 |
| InChI Key: | UOKAGNFFCYJSCM-LJQANCHMSA-N |