N'-(2,5-dimethylphenyl)-N-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]thiourea
Chemical Structure Depiction of
N'-(2,5-dimethylphenyl)-N-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]thiourea
N'-(2,5-dimethylphenyl)-N-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]thiourea
Compound characteristics
Compound ID: | Y500-6475 |
Compound Name: | N'-(2,5-dimethylphenyl)-N-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]thiourea |
Molecular Weight: | 489.64 |
Molecular Formula: | C27 H31 N5 O2 S |
Smiles: | Cc1cccc(c1)N1C(CC(C1=O)N(Cc1c(C)nn(C)c1C)C(Nc1cc(C)ccc1C)=S)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.2965 |
logD: | 3.2965 |
logSw: | -3.4361 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 52.278 |
InChI Key: | HFPBIXUYKKLEKZ-DEOSSOPVSA-N |