5-[4-(4-methoxyphenyl)piperazin-1-yl]-6-nitro-2-phenyl-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-[4-(4-methoxyphenyl)piperazin-1-yl]-6-nitro-2-phenyl-1H-isoindole-1,3(2H)-dione
5-[4-(4-methoxyphenyl)piperazin-1-yl]-6-nitro-2-phenyl-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K906-0378 |
| Compound Name: | 5-[4-(4-methoxyphenyl)piperazin-1-yl]-6-nitro-2-phenyl-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 458.47 |
| Molecular Formula: | C25 H22 N4 O5 |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)c1cc2C(N(C(c2cc1[N+]([O-])=O)=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2582 |
| logD: | 4.2581 |
| logSw: | -4.3982 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.916 |
| InChI Key: | DBDMORVZIDZYNY-UHFFFAOYSA-N |