methyl 8-tert-butyl-10-hydroxy-2-methyl-3-(3-methylphenyl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Chemical Structure Depiction of
methyl 8-tert-butyl-10-hydroxy-2-methyl-3-(3-methylphenyl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
methyl 8-tert-butyl-10-hydroxy-2-methyl-3-(3-methylphenyl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Compound characteristics
| Compound ID: | C302-0195 |
| Compound Name: | methyl 8-tert-butyl-10-hydroxy-2-methyl-3-(3-methylphenyl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate |
| Molecular Weight: | 440.56 |
| Molecular Formula: | C24 H28 N2 O4 S |
| Smiles: | Cc1cccc(c1)N1C(NC2C(C(=O)OC)C1(C)Oc1c2cc(cc1O)C(C)(C)C)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5235 |
| logD: | 5.5225 |
| logSw: | -5.2094 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.918 |
| InChI Key: | WIKNSXHMCKCARS-UHFFFAOYSA-N |