methyl 8-bromo-10-methoxy-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-bromo-10-methoxy-2-methyl-3-(3-methylphenyl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
methyl 8-bromo-10-methoxy-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: | C302-0148 |
| Compound Name: | methyl 8-bromo-10-methoxy-2-methyl-3-(3-methylphenyl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate |
| Molecular Weight: | 477.38 |
| Molecular Formula: | C21 H21 Br N2 O4 S |
| Smiles: | Cc1cccc(c1)N1C(NC2C(C(=O)OC)C1(C)Oc1c2cc(cc1OC)[Br])=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8694 |
| logD: | 4.8694 |
| logSw: | -4.6948 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.001 |
| InChI Key: | DFTDPIAVUSNOSI-UHFFFAOYSA-N |