methyl 4-[2-(5-chloropyridin-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-(5-chloropyridin-2-yl)-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl]benzoate
methyl 4-[2-(5-chloropyridin-2-yl)-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl]benzoate
Compound characteristics
| Compound ID: | Y070-3887 |
| Compound Name: | methyl 4-[2-(5-chloropyridin-2-yl)-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl]benzoate |
| Molecular Weight: | 446.85 |
| Molecular Formula: | C24 H15 Cl N2 O5 |
| Smiles: | COC(c1ccc(cc1)C1C2=C(C(N1c1ccc(cn1)[Cl])=O)Oc1ccccc1C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7317 |
| logD: | 4.7317 |
| logSw: | -5.1667 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.896 |
| InChI Key: | CXKHVQYOHKEUCR-HXUWFJFHSA-N |