2-(4-{4-[(5-chloro-2-methoxyphenyl)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-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-(4-{4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-1310 |
| Compound Name: | 2-(4-{4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 522.99 |
| Molecular Formula: | C27 H27 Cl N4 O5 |
| Smiles: | COc1ccc(cc1CN1CCN(CC1)c1ccc(cc1[N+]([O-])=O)N1C(C2C3CC(C=C3)C2C1=O)=O)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4391 |
| logD: | 3.4027 |
| logSw: | -3.9263 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.128 |
| InChI Key: | HMYMLLBWUAMWDJ-UHFFFAOYSA-N |