2-{4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-{4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | C034-0075 |
| Compound Name: | 2-{4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 423.51 |
| Molecular Formula: | C24 H29 N3 O4 |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(CCCN1C(C2C3CC(C=C3)C2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.376 |
| logD: | 1.3756 |
| logSw: | -1.9028 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.511 |
| InChI Key: | JTFANDOZPHVXMB-UHFFFAOYSA-N |