N-(3-chloro-4-fluorophenyl)-N'-{[2-(4-methylphenyl)-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl]methyl}thiourea
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-N'-{[2-(4-methylphenyl)-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl]methyl}thiourea
N-(3-chloro-4-fluorophenyl)-N'-{[2-(4-methylphenyl)-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl]methyl}thiourea
Compound characteristics
| Compound ID: | C344-0012 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-N'-{[2-(4-methylphenyl)-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl]methyl}thiourea |
| Molecular Weight: | 471.94 |
| Molecular Formula: | C23 H19 Cl F N3 O3 S |
| Smiles: | Cc1ccc(cc1)N1C(C2C(C1=O)C1(CNC(Nc3ccc(c(c3)[Cl])F)=S)C=CC2O1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5158 |
| logD: | 3.5157 |
| logSw: | -3.9211 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.14 |
| InChI Key: | OLDIHCRKUKFHHI-UHFFFAOYSA-N |