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]-N'-(2-methylphenyl)urea
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]-N'-(2-methylphenyl)urea
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]-N'-(2-methylphenyl)urea
Compound characteristics
| Compound ID: | V029-3320 |
| 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]-N'-(2-methylphenyl)urea |
| Molecular Weight: | 566.68 |
| Molecular Formula: | C32 H30 N4 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)c1ccc(cc1)NC1=C(C(N(Cc2ccco2)C1=O)=O)Sc1ccc(cc1)NC(Nc1ccccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7545 |
| logD: | 6.7541 |
| logSw: | -5.6636 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.957 |
| InChI Key: | GAZYXSBBSJXFGW-UHFFFAOYSA-N |