methyl 4-[2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-fluoro-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-acetyl-4-methyl-1,3-thiazol-2-yl)-7-fluoro-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl]benzoate
methyl 4-[2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-fluoro-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl]benzoate
Compound characteristics
| Compound ID: | 6872-4506 |
| Compound Name: | methyl 4-[2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-fluoro-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl]benzoate |
| Molecular Weight: | 492.48 |
| Molecular Formula: | C25 H17 F N2 O6 S |
| Smiles: | CC(c1c(C)nc(N2C(C3=C(C2=O)Oc2ccc(cc2C3=O)F)c2ccc(cc2)C(=O)OC)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2701 |
| logD: | 4.2701 |
| logSw: | -4.5173 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.519 |
| InChI Key: | CSCXTMUUPHUEQB-LJQANCHMSA-N |