N-[3-({4-anilino-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[3-({4-anilino-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide
N-[3-({4-anilino-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | V027-2377 |
| Compound Name: | N-[3-({4-anilino-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide |
| Molecular Weight: | 540.55 |
| Molecular Formula: | C28 H20 N4 O6 S |
| Salt: | not_available |
| Smiles: | C(c1ccco1)N1C(C(=C(C1=O)Sc1cccc(c1)NC(c1ccc(cc1)[N+]([O-])=O)=O)Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5947 |
| logD: | 4.5944 |
| logSw: | -4.5481 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.824 |
| InChI Key: | VIHAIOFQEIMSFW-UHFFFAOYSA-N |