N-[4-({1-[(furan-2-yl)methyl]-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[4-({1-[(furan-2-yl)methyl]-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide
N-[4-({1-[(furan-2-yl)methyl]-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | V026-5425 |
| Compound Name: | N-[4-({1-[(furan-2-yl)methyl]-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide |
| Molecular Weight: | 570.58 |
| Molecular Formula: | C29 H22 N4 O7 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)NC1=C(C(N(Cc2ccco2)C1=O)=O)Sc1ccc(cc1)NC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.878 |
| logD: | 4.8774 |
| logSw: | -4.5056 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.368 |
| InChI Key: | GBSXTHMRVGVKSS-UHFFFAOYSA-N |