N-{[2-(4-methylphenyl)-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl]methyl}-N'-(2-phenylethyl)thiourea
Chemical Structure Depiction of
N-{[2-(4-methylphenyl)-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl]methyl}-N'-(2-phenylethyl)thiourea
N-{[2-(4-methylphenyl)-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl]methyl}-N'-(2-phenylethyl)thiourea
Compound characteristics
| Compound ID: | C344-0069 |
| Compound Name: | N-{[2-(4-methylphenyl)-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl]methyl}-N'-(2-phenylethyl)thiourea |
| Molecular Weight: | 447.56 |
| Molecular Formula: | C25 H25 N3 O3 S |
| Smiles: | Cc1ccc(cc1)N1C(C2C(C1=O)C1(CNC(NCCc3ccccc3)=S)C=CC2O1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4059 |
| logD: | 2.4059 |
| logSw: | -2.8198 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.304 |
| InChI Key: | ZGNLMBQXTPQDPA-UHFFFAOYSA-N |