5-(4-ethylanilino)-2-(4-methylphenyl)-6-nitro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-(4-ethylanilino)-2-(4-methylphenyl)-6-nitro-1H-isoindole-1,3(2H)-dione
5-(4-ethylanilino)-2-(4-methylphenyl)-6-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K906-0348 |
| Compound Name: | 5-(4-ethylanilino)-2-(4-methylphenyl)-6-nitro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 401.42 |
| Molecular Formula: | C23 H19 N3 O4 |
| Smiles: | CCc1ccc(cc1)Nc1cc2C(N(C(c2cc1[N+]([O-])=O)=O)c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2839 |
| logD: | 6.2839 |
| logSw: | -5.4378 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.175 |
| InChI Key: | CRMHTDPAHMBQCI-UHFFFAOYSA-N |