methyl 8-bromo-2-methyl-3-[4-(propan-2-yl)phenyl]-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Chemical Structure Depiction of
methyl 8-bromo-2-methyl-3-[4-(propan-2-yl)phenyl]-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
methyl 8-bromo-2-methyl-3-[4-(propan-2-yl)phenyl]-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Compound characteristics
| Compound ID: | C302-0128 |
| Compound Name: | methyl 8-bromo-2-methyl-3-[4-(propan-2-yl)phenyl]-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate |
| Molecular Weight: | 475.4 |
| Molecular Formula: | C22 H23 Br N2 O3 S |
| Smiles: | CC(C)c1ccc(cc1)N1C(NC2C(C(=O)OC)C1(C)Oc1ccc(cc12)[Br])=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6107 |
| logD: | 5.6107 |
| logSw: | -5.4772 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.686 |
| InChI Key: | MAIFQVCBFCUNBF-UHFFFAOYSA-N |