N'-(4-methoxyphenyl)-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'-(4-methoxyphenyl)-N-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]thiourea
N'-(4-methoxyphenyl)-N-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]thiourea
Compound characteristics
| Compound ID: | Y500-6477 |
| Compound Name: | N'-(4-methoxyphenyl)-N-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]thiourea |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C26 H29 N5 O3 S |
| Smiles: | Cc1cccc(c1)N1C(CC(C1=O)N(Cc1c(C)nn(C)c1C)C(Nc1ccc(cc1)OC)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.894 |
| logD: | 2.894 |
| logSw: | -3.4677 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.52 |
| InChI Key: | ITICYHSOKSBPTR-QHCPKHFHSA-N |