N-[4-({4-(4-bromoanilino)-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2,4-dimethoxybenzamide
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]-2,4-dimethoxybenzamide
N-[4-({4-(4-bromoanilino)-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | V027-4093 |
| Compound Name: | N-[4-({4-(4-bromoanilino)-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2,4-dimethoxybenzamide |
| Molecular Weight: | 634.51 |
| Molecular Formula: | C30 H24 Br N3 O6 S |
| Salt: | not_available |
| Smiles: | COc1ccc(C(Nc2ccc(cc2)SC2=C(C(N(Cc3ccco3)C2=O)=O)Nc2ccc(cc2)[Br])=O)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 5.8284 |
| logD: | 5.8127 |
| logSw: | -5.4924 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.617 |
| InChI Key: | TUIHLWCXBORTDS-UHFFFAOYSA-N |