prop-2-en-1-yl 3-(3-bromophenyl)-8-chloro-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 3-(3-bromophenyl)-8-chloro-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
prop-2-en-1-yl 3-(3-bromophenyl)-8-chloro-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Compound characteristics
| Compound ID: | K272-1789 |
| Compound Name: | prop-2-en-1-yl 3-(3-bromophenyl)-8-chloro-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate |
| Molecular Weight: | 493.81 |
| Molecular Formula: | C21 H18 Br Cl N2 O3 S |
| Smiles: | CC12C(C(c3cc(ccc3O2)[Cl])NC(N1c1cccc(c1)[Br])=S)C(=O)OCC=C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5955 |
| logD: | 5.5955 |
| logSw: | -5.8863 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.56 |
| InChI Key: | UCGKLABDOXPFCB-UHFFFAOYSA-N |