2-(2-oxo-2-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}ethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(2-oxo-2-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}ethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-(2-oxo-2-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}ethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | C082-0049 |
| Compound Name: | 2-(2-oxo-2-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}ethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 469.54 |
| Molecular Formula: | C25 H31 N3 O6 |
| Smiles: | COc1ccc(CN2CCN(CC2)C(CN2C(C3C4CC(C=C4)C3C2=O)=O)=O)c(c1OC)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.6375 |
| logD: | 0.437 |
| logSw: | -1.5116 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.334 |
| InChI Key: | IPEBOPRSUQGGPH-UHFFFAOYSA-N |