8,10-di-tert-butyl-3-(4-ethoxyphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
8,10-di-tert-butyl-3-(4-ethoxyphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
8,10-di-tert-butyl-3-(4-ethoxyphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C269-0627 |
| Compound Name: | 8,10-di-tert-butyl-3-(4-ethoxyphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 436.59 |
| Molecular Formula: | C27 H36 N2 O3 |
| Smiles: | CCOc1ccc(cc1)N1C(NC2CC1(C)Oc1c2cc(cc1C(C)(C)C)C(C)(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.2618 |
| logD: | 7.2618 |
| logSw: | -5.7002 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.885 |
| InChI Key: | NQKIVOPKISQCBN-UHFFFAOYSA-N |