methyl 4-[6,7-dimethyl-2-(5-methylpyridin-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-[6,7-dimethyl-2-(5-methylpyridin-2-yl)-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl]benzoate
methyl 4-[6,7-dimethyl-2-(5-methylpyridin-2-yl)-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl]benzoate
Compound characteristics
| Compound ID: | 6872-5401 |
| Compound Name: | methyl 4-[6,7-dimethyl-2-(5-methylpyridin-2-yl)-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl]benzoate |
| Molecular Weight: | 454.48 |
| Molecular Formula: | C27 H22 N2 O5 |
| Smiles: | Cc1ccc(nc1)N1C(C2=C(C1=O)Oc1cc(C)c(C)cc1C2=O)c1ccc(cc1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5073 |
| logD: | 5.5073 |
| logSw: | -5.4312 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.896 |
| InChI Key: | AEEQIIKJTNHXGL-HSZRJFAPSA-N |