methyl 2-{7-fluoro-1-[4-(methylsulfanyl)phenyl]-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-{7-fluoro-1-[4-(methylsulfanyl)phenyl]-3,9-dioxo-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl}-4-methyl-1,3-thiazole-5-carboxylate
methyl 2-{7-fluoro-1-[4-(methylsulfanyl)phenyl]-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: | 6872-4639 |
| Compound Name: | methyl 2-{7-fluoro-1-[4-(methylsulfanyl)phenyl]-3,9-dioxo-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl}-4-methyl-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 496.53 |
| Molecular Formula: | C24 H17 F N2 O5 S2 |
| Smiles: | Cc1c(C(=O)OC)sc(n1)N1C(C2=C(C1=O)Oc1ccc(cc1C2=O)F)c1ccc(cc1)SC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0769 |
| logD: | 5.0768 |
| logSw: | -5.0516 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.693 |
| InChI Key: | AHFBRFIAPZNEHP-GOSISDBHSA-N |