N'-cyclohexyl-N-[1-(2,6-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]thiourea
Chemical Structure Depiction of
N'-cyclohexyl-N-[1-(2,6-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]thiourea
N'-cyclohexyl-N-[1-(2,6-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]thiourea
Compound characteristics
| Compound ID: | Y508-6899 |
| Compound Name: | N'-cyclohexyl-N-[1-(2,6-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]thiourea |
| Molecular Weight: | 508.47 |
| Molecular Formula: | C23 H27 Cl2 N5 O2 S |
| Smiles: | Cc1c(CN(C2CC(N(C2=O)c2c(cccc2[Cl])[Cl])=O)C(NC2CCCCC2)=S)cn(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.733 |
| logD: | 3.733 |
| logSw: | -3.9599 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.744 |
| InChI Key: | SSWTWCCACPWJAQ-LJQANCHMSA-N |