prop-2-en-1-yl 3-(4-chlorophenyl)-10-methoxy-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-(4-chlorophenyl)-10-methoxy-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-(4-chlorophenyl)-10-methoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Compound characteristics
| Compound ID: | K272-1722 |
| Compound Name: | prop-2-en-1-yl 3-(4-chlorophenyl)-10-methoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate |
| Molecular Weight: | 444.94 |
| Molecular Formula: | C22 H21 Cl N2 O4 S |
| Smiles: | CC12C(C(c3cccc(c3O2)OC)NC(N1c1ccc(cc1)[Cl])=S)C(=O)OCC=C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6719 |
| logD: | 4.6719 |
| logSw: | -4.9853 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.875 |
| InChI Key: | SACUKKGZXJUUEC-UHFFFAOYSA-N |