N-[3-({1-[(furan-2-yl)methyl]-4-(4-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[3-({1-[(furan-2-yl)methyl]-4-(4-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide
N-[3-({1-[(furan-2-yl)methyl]-4-(4-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | V029-5970 |
| Compound Name: | N-[3-({1-[(furan-2-yl)methyl]-4-(4-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide |
| Molecular Weight: | 554.58 |
| Molecular Formula: | C29 H22 N4 O6 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)NC1=C(C(N(Cc2ccco2)C1=O)=O)Sc1cccc(c1)NC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2098 |
| logD: | 5.2095 |
| logSw: | -4.9796 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.824 |
| InChI Key: | DWURFMFJYCMTMX-UHFFFAOYSA-N |