N-{[2-(4-chlorophenyl)-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl]methyl}-N'-(3-methylphenyl)thiourea
Chemical Structure Depiction of
N-{[2-(4-chlorophenyl)-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl]methyl}-N'-(3-methylphenyl)thiourea
N-{[2-(4-chlorophenyl)-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl]methyl}-N'-(3-methylphenyl)thiourea
Compound characteristics
| Compound ID: | C200-1233 |
| Compound Name: | N-{[2-(4-chlorophenyl)-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl]methyl}-N'-(3-methylphenyl)thiourea |
| Molecular Weight: | 453.95 |
| Molecular Formula: | C23 H20 Cl N3 O3 S |
| Smiles: | Cc1cccc(c1)NC(NCC12C=CC(C3C1C(N(C3=O)c1ccc(cc1)[Cl])=O)O2)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3169 |
| logD: | 3.3169 |
| logSw: | -3.7781 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.14 |
| InChI Key: | NATUCWNZFXNFMR-UHFFFAOYSA-N |