2-(4-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-(4-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-1311 |
| Compound Name: | 2-(4-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 492.96 |
| Molecular Formula: | C26 H25 Cl N4 O4 |
| Smiles: | C1C2C=CC1C1C2C(N(C1=O)c1ccc(c(c1)[N+]([O-])=O)N1CCN(CC1)Cc1ccc(cc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3631 |
| logD: | 3.3402 |
| logSw: | -3.8468 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.497 |
| InChI Key: | SMBUMEDHTJFQQE-UHFFFAOYSA-N |