N-[1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-[4-(dimethylamino)phenyl]-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]thiourea
Chemical Structure Depiction of
N-[1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-[4-(dimethylamino)phenyl]-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]thiourea
N-[1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-[4-(dimethylamino)phenyl]-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]thiourea
Compound characteristics
| Compound ID: | Y500-5643 |
| Compound Name: | N-[1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-[4-(dimethylamino)phenyl]-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]thiourea |
| Molecular Weight: | 548.71 |
| Molecular Formula: | C29 H36 N6 O3 S |
| Smiles: | CCCCOc1ccc(cc1)N1C(CC(C1=O)N(Cc1cn(C)nc1C)C(Nc1ccc(cc1)N(C)C)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8424 |
| logD: | 3.8338 |
| logSw: | -3.8325 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.521 |
| InChI Key: | IUYGOHBLNFIADE-SANMLTNESA-N |