N-[4-({4-(4-bromoanilino)-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-methylbenzamide
Chemical Structure Depiction of
N-[4-({4-(4-bromoanilino)-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-methylbenzamide
N-[4-({4-(4-bromoanilino)-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-methylbenzamide
Compound characteristics
| Compound ID: | V027-4057 |
| Compound Name: | N-[4-({4-(4-bromoanilino)-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-methylbenzamide |
| Molecular Weight: | 588.48 |
| Molecular Formula: | C29 H22 Br N3 O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)C(Nc1ccc(cc1)SC1=C(C(N(Cc2ccco2)C1=O)=O)Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 6.2272 |
| logD: | 6.2115 |
| logSw: | -5.4737 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.443 |
| InChI Key: | SRONWYJNEBMTRA-UHFFFAOYSA-N |