2-[4-(3-chloro-4-methoxyanilino)-3-nitrophenyl]hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[4-(3-chloro-4-methoxyanilino)-3-nitrophenyl]hexahydro-1H-isoindole-1,3(2H)-dione
2-[4-(3-chloro-4-methoxyanilino)-3-nitrophenyl]hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0075 |
| Compound Name: | 2-[4-(3-chloro-4-methoxyanilino)-3-nitrophenyl]hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 429.86 |
| Molecular Formula: | C21 H20 Cl N3 O5 |
| Smiles: | COc1ccc(cc1[Cl])Nc1ccc(cc1[N+]([O-])=O)N1C(C2CCCCC2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5122 |
| logD: | 4.5122 |
| logSw: | -4.7152 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.998 |
| InChI Key: | DTZBDDKBHRKVKB-UHFFFAOYSA-N |