2-{3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-{3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
Compound ID: | K655-0112 |
Compound Name: | 2-{3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
Molecular Weight: | 457.53 |
Molecular Formula: | C27 H27 N3 O4 |
Smiles: | COc1ccccc1N1CCN(CC1)C(c1cccc(c1)N1C(C2C3CC(C=C3)C2C1=O)=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.1808 |
logD: | 2.1808 |
logSw: | -2.594 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 56.963 |
InChI Key: | RNIBURLHTLBLFJ-UHFFFAOYSA-N |