N-[4-({1-[(furan-2-yl)methyl]-4-(4-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methylbutanamide
Chemical Structure Depiction of
N-[4-({1-[(furan-2-yl)methyl]-4-(4-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methylbutanamide
N-[4-({1-[(furan-2-yl)methyl]-4-(4-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methylbutanamide
Compound characteristics
| Compound ID: | V026-9046 |
| Compound Name: | N-[4-({1-[(furan-2-yl)methyl]-4-(4-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methylbutanamide |
| Molecular Weight: | 489.59 |
| Molecular Formula: | C27 H27 N3 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)CC(Nc1ccc(cc1)SC1=C(C(N(Cc2ccco2)C1=O)=O)Nc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1915 |
| logD: | 5.1912 |
| logSw: | -4.9242 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.501 |
| InChI Key: | DIBIBDZEBKPDMY-UHFFFAOYSA-N |