methyl 4-[7-fluoro-3,9-dioxo-2-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl]benzoate
Chemical Structure Depiction of
methyl 4-[7-fluoro-3,9-dioxo-2-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl]benzoate
methyl 4-[7-fluoro-3,9-dioxo-2-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl]benzoate
Compound characteristics
| Compound ID: | 7152-3156 |
| Compound Name: | methyl 4-[7-fluoro-3,9-dioxo-2-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl]benzoate |
| Molecular Weight: | 479.49 |
| Molecular Formula: | C24 H18 F N3 O5 S |
| Smiles: | CCCc1nnc(N2C(C3=C(C2=O)Oc2ccc(cc2C3=O)F)c2ccc(cc2)C(=O)OC)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6747 |
| logD: | 4.6746 |
| logSw: | -4.6516 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.109 |
| InChI Key: | UYHIGLFDZOSEGN-LJQANCHMSA-N |