4-bromo-N-[3-({1-[(furan-2-yl)methyl]-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide
Chemical Structure Depiction of
4-bromo-N-[3-({1-[(furan-2-yl)methyl]-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide
4-bromo-N-[3-({1-[(furan-2-yl)methyl]-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide
Compound characteristics
| Compound ID: | V031-0121 |
| Compound Name: | 4-bromo-N-[3-({1-[(furan-2-yl)methyl]-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide |
| Molecular Weight: | 604.48 |
| Molecular Formula: | C29 H22 Br N3 O5 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)NC1=C(C(N(Cc2ccco2)C1=O)=O)Sc1cccc(c1)NC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.677 |
| logD: | 5.6762 |
| logSw: | -5.4202 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.987 |
| InChI Key: | SYRNUYDYKHCSAK-UHFFFAOYSA-N |