N-[1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N'-(4-methylphenyl)thiourea
Chemical Structure Depiction of
N-[1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N'-(4-methylphenyl)thiourea
N-[1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N'-(4-methylphenyl)thiourea
Compound characteristics
| Compound ID: | Y500-5644 |
| Compound Name: | N-[1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N'-(4-methylphenyl)thiourea |
| Molecular Weight: | 519.67 |
| Molecular Formula: | C28 H33 N5 O3 S |
| Smiles: | CCCCOc1ccc(cc1)N1C(CC(C1=O)N(Cc1cn(C)nc1C)C(Nc1ccc(C)cc1)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1757 |
| logD: | 4.1757 |
| logSw: | -3.9519 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.716 |
| InChI Key: | YHOKRTOFTUKXNN-VWLOTQADSA-N |