2-[4-(3-chloro-4-methoxyanilino)-3-nitrophenyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[4-(3-chloro-4-methoxyanilino)-3-nitrophenyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-[4-(3-chloro-4-methoxyanilino)-3-nitrophenyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-1068 |
| Compound Name: | 2-[4-(3-chloro-4-methoxyanilino)-3-nitrophenyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 439.85 |
| Molecular Formula: | C22 H18 Cl N3 O5 |
| Smiles: | COc1ccc(cc1[Cl])Nc1ccc(cc1[N+]([O-])=O)N1C(C2C3CC(C=C3)C2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1503 |
| logD: | 4.1503 |
| logSw: | -4.5145 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.65 |
| InChI Key: | ZCLFGZHFOXKCLV-UHFFFAOYSA-N |