2,4-dichloro-N-{[2-(4-nitrophenyl)-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl]methyl}benzamide
Chemical Structure Depiction of
2,4-dichloro-N-{[2-(4-nitrophenyl)-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl]methyl}benzamide
2,4-dichloro-N-{[2-(4-nitrophenyl)-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl]methyl}benzamide
Compound characteristics
| Compound ID: | 8004-9663 |
| Compound Name: | 2,4-dichloro-N-{[2-(4-nitrophenyl)-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl]methyl}benzamide |
| Molecular Weight: | 488.28 |
| Molecular Formula: | C22 H15 Cl2 N3 O6 |
| Smiles: | C(C12C=CC(C3C1C(N(C3=O)c1ccc(cc1)[N+]([O-])=O)=O)O2)NC(c1ccc(cc1[Cl])[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2927 |
| logD: | 3.2925 |
| logSw: | -4.0096 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.79 |
| InChI Key: | KGKISOOXXVBSEF-UHFFFAOYSA-N |