rel-(3aR,6S,7R,7aS)-N~7~-(3-methoxyphenyl)-N~3~-(2-methylcyclohexyl)-1-oxo-2-[(thiophen-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Chemical Structure Depiction of
rel-(3aR,6S,7R,7aS)-N~7~-(3-methoxyphenyl)-N~3~-(2-methylcyclohexyl)-1-oxo-2-[(thiophen-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
rel-(3aR,6S,7R,7aS)-N~7~-(3-methoxyphenyl)-N~3~-(2-methylcyclohexyl)-1-oxo-2-[(thiophen-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Compound characteristics
| Compound ID: | C073-5363 |
| Compound Name: | rel-(3aR,6S,7R,7aS)-N~7~-(3-methoxyphenyl)-N~3~-(2-methylcyclohexyl)-1-oxo-2-[(thiophen-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide |
| Molecular Weight: | 535.66 |
| Molecular Formula: | C29 H33 N3 O5 S |
| Smiles: | CC1CCCCC1NC(C1[C@@]23C=C[C@@H]([C@H](C(Nc4cccc(c4)OC)=O)[C@@H]2C(N1Cc1cccs1)=O)O3)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0972 |
| logD: | 4.0822 |
| logSw: | -4.3763 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.749 |
| InChI Key: | HDLRYQBBGJKKMX-HNFRLKKTSA-N |