rel-(4R,7S)-2-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(4R,7S)-2-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
rel-(4R,7S)-2-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K978-0088 |
| Compound Name: | rel-(4R,7S)-2-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 393.48 |
| Molecular Formula: | C23 H27 N3 O3 |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)C(CN1C(C2C(C1=O)[C@@H]1C[C@H]2C=C1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.92 |
| logD: | 1.9197 |
| logSw: | -2.3858 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.207 |
| InChI Key: | PVNSPNNSIGWTPP-UHFFFAOYSA-N |