N-[3-({4-(4-bromoanilino)-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-[3-({4-(4-bromoanilino)-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide
N-[3-({4-(4-bromoanilino)-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: | V029-8526 |
| Compound Name: | N-[3-({4-(4-bromoanilino)-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: | 618.46 |
| Molecular Formula: | C29 H20 Br N3 O6 S |
| Salt: | not_available |
| Smiles: | C(c1ccco1)N1C(C(=C(C1=O)Sc1cccc(c1)NC(c1ccc2c(c1)OCO2)=O)Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6171 |
| logD: | 5.6013 |
| logSw: | -5.9173 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.558 |
| InChI Key: | NUJBHMHEUYOROC-UHFFFAOYSA-N |