rel-(6R,7aS)-2-[(2-chlorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Chemical Structure Depiction of
rel-(6R,7aS)-2-[(2-chlorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
rel-(6R,7aS)-2-[(2-chlorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Compound characteristics
| Compound ID: | C123-0457 |
| Compound Name: | rel-(6R,7aS)-2-[(2-chlorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide |
| Molecular Weight: | 458.99 |
| Molecular Formula: | C24 H31 Cl N4 O3 |
| Smiles: | CN1CCN(CCCNC(C2[C@@H]3C(N(Cc4ccccc4[Cl])C[C@]34C=C[C@H]2O4)=O)=O)CC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.2635 |
| logD: | 0.059 |
| logSw: | -2.4789 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.261 |
| InChI Key: | ZLGUABDEODKMKM-XGQPODGHSA-N |