2-{[4-(adamantan-1-yl)-2-methylanilino]methyl}-4-nitro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{[4-(adamantan-1-yl)-2-methylanilino]methyl}-4-nitro-1H-isoindole-1,3(2H)-dione
2-{[4-(adamantan-1-yl)-2-methylanilino]methyl}-4-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 0573-2085 |
| Compound Name: | 2-{[4-(adamantan-1-yl)-2-methylanilino]methyl}-4-nitro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 445.52 |
| Molecular Formula: | C26 H27 N3 O4 |
| Smiles: | Cc1cc(ccc1NCN1C(c2cccc(c2C1=O)[N+]([O-])=O)=O)C12CC3CC(CC(C3)C2)C1 |
| Stereo: | ACHIRAL |
| logP: | 5.2251 |
| logD: | 5.2251 |
| logSw: | -5.2311 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.796 |
| InChI Key: | WVCAUMSLYHODMQ-UHFFFAOYSA-N |