N-[4-({1-[(furan-2-yl)methyl]-2,5-dioxo-4-[4-(propan-2-yl)anilino]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methylbutanamide
Chemical Structure Depiction of
N-[4-({1-[(furan-2-yl)methyl]-2,5-dioxo-4-[4-(propan-2-yl)anilino]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methylbutanamide
N-[4-({1-[(furan-2-yl)methyl]-2,5-dioxo-4-[4-(propan-2-yl)anilino]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methylbutanamide
Compound characteristics
| Compound ID: | V029-3331 |
| Compound Name: | N-[4-({1-[(furan-2-yl)methyl]-2,5-dioxo-4-[4-(propan-2-yl)anilino]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methylbutanamide |
| Molecular Weight: | 517.65 |
| Molecular Formula: | C29 H31 N3 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)CC(Nc1ccc(cc1)SC1=C(C(N(Cc2ccco2)C1=O)=O)Nc1ccc(cc1)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1063 |
| logD: | 6.106 |
| logSw: | -5.4625 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.501 |
| InChI Key: | NDTNPVLUIPYNFL-UHFFFAOYSA-N |