4-nitro-2-{[4-(3-phenyladamantan-1-yl)anilino]methyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
4-nitro-2-{[4-(3-phenyladamantan-1-yl)anilino]methyl}-1H-isoindole-1,3(2H)-dione
4-nitro-2-{[4-(3-phenyladamantan-1-yl)anilino]methyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 0573-2102 |
| Compound Name: | 4-nitro-2-{[4-(3-phenyladamantan-1-yl)anilino]methyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 507.59 |
| Molecular Formula: | C31 H29 N3 O4 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)c1ccc(cc1)NCN1C(c2cccc(c2C1=O)[N+]([O-])=O)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.5153 |
| logD: | 6.5153 |
| logSw: | -6.315 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.222 |
| InChI Key: | SJSBCVIHVBFLEY-UHFFFAOYSA-N |