(3aRS,6RS)-3-(4-methoxyphenyl)-6-[(5SR)-3-(4-methoxyphenyl)-5-methyl-4,5-dihydro-1,2-oxazol-5-yl]-3a-methyl-5,6,7,7a-tetrahydro-1,2-benzoxazol-4(3aH)-one
Chemical Structure Depiction of
(3aRS,6RS)-3-(4-methoxyphenyl)-6-[(5SR)-3-(4-methoxyphenyl)-5-methyl-4,5-dihydro-1,2-oxazol-5-yl]-3a-methyl-5,6,7,7a-tetrahydro-1,2-benzoxazol-4(3aH)-one
(3aRS,6RS)-3-(4-methoxyphenyl)-6-[(5SR)-3-(4-methoxyphenyl)-5-methyl-4,5-dihydro-1,2-oxazol-5-yl]-3a-methyl-5,6,7,7a-tetrahydro-1,2-benzoxazol-4(3aH)-one
Compound characteristics
| Compound ID: | 8018-8775 |
| Compound Name: | (3aRS,6RS)-3-(4-methoxyphenyl)-6-[(5SR)-3-(4-methoxyphenyl)-5-methyl-4,5-dihydro-1,2-oxazol-5-yl]-3a-methyl-5,6,7,7a-tetrahydro-1,2-benzoxazol-4(3aH)-one |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C26 H28 N2 O5 |
| Smiles: | CC1(CC(c2ccc(cc2)OC)=NO1)[C@H]1CC2[C@](C)(C(c3ccc(cc3)OC)=NO2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7696 |
| logD: | 4.7696 |
| logSw: | -4.6138 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.309 |
| InChI Key: | LIADFWPROBIAMI-GPHBOLOYSA-N |