methyl 2-[1-(4-fluorophenyl)-3,9-dioxo-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
methyl 2-[1-(4-fluorophenyl)-3,9-dioxo-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate
methyl 2-[1-(4-fluorophenyl)-3,9-dioxo-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | 6391-0184 |
| Compound Name: | methyl 2-[1-(4-fluorophenyl)-3,9-dioxo-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 450.44 |
| Molecular Formula: | C23 H15 F N2 O5 S |
| Smiles: | Cc1c(C(=O)OC)sc(n1)N1C(C2=C(C1=O)Oc1ccccc1C2=O)c1ccc(cc1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1595 |
| logD: | 4.1594 |
| logSw: | -4.6413 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.693 |
| InChI Key: | XANCRSSGSPHSQC-QGZVFWFLSA-N |