N-[3-({4-(4-fluoroanilino)-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-methoxybenzamide
Chemical Structure Depiction of
N-[3-({4-(4-fluoroanilino)-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-methoxybenzamide
N-[3-({4-(4-fluoroanilino)-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-methoxybenzamide
Compound characteristics
| Compound ID: | V027-1546 |
| Compound Name: | N-[3-({4-(4-fluoroanilino)-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-methoxybenzamide |
| Molecular Weight: | 543.57 |
| Molecular Formula: | C29 H22 F N3 O5 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)C(Nc1cccc(c1)SC1=C(C(N(Cc2ccco2)C1=O)=O)Nc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8722 |
| logD: | 4.8565 |
| logSw: | -4.5714 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.987 |
| InChI Key: | TXBFPIWHTNXZOH-UHFFFAOYSA-N |