methyl 4-{7-fluoro-2-[3-(morpholin-4-yl)propyl]-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl}benzoate
Chemical Structure Depiction of
methyl 4-{7-fluoro-2-[3-(morpholin-4-yl)propyl]-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl}benzoate
methyl 4-{7-fluoro-2-[3-(morpholin-4-yl)propyl]-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl}benzoate
Compound characteristics
| Compound ID: | D417-0203 |
| Compound Name: | methyl 4-{7-fluoro-2-[3-(morpholin-4-yl)propyl]-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl}benzoate |
| Molecular Weight: | 480.49 |
| Molecular Formula: | C26 H25 F N2 O6 |
| Smiles: | COC(c1ccc(cc1)C1C2=C(C(N1CCCN1CCOCC1)=O)Oc1ccc(cc1C2=O)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9738 |
| logD: | 2.8003 |
| logSw: | -3.261 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.776 |
| InChI Key: | YGEVNKCXZZPLGJ-JOCHJYFZSA-N |