N-[4-({4-(4-fluoroanilino)-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[4-({4-(4-fluoroanilino)-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide
N-[4-({4-(4-fluoroanilino)-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V026-4803 |
| Compound Name: | N-[4-({4-(4-fluoroanilino)-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 557.56 |
| Molecular Formula: | C29 H20 F N3 O6 S |
| Salt: | not_available |
| Smiles: | C(c1ccco1)N1C(C(=C(C1=O)Sc1ccc(cc1)NC(c1ccc2c(c1)OCO2)=O)Nc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9214 |
| logD: | 4.9057 |
| logSw: | -4.9363 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.558 |
| InChI Key: | MNPUTNUUVXPOIE-UHFFFAOYSA-N |