methyl 4-(10-chloro-2-methyl-4-sulfanylidene-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzoate
Chemical Structure Depiction of
methyl 4-(10-chloro-2-methyl-4-sulfanylidene-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzoate
methyl 4-(10-chloro-2-methyl-4-sulfanylidene-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzoate
Compound characteristics
| Compound ID: | K272-2843 |
| Compound Name: | methyl 4-(10-chloro-2-methyl-4-sulfanylidene-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzoate |
| Molecular Weight: | 388.87 |
| Molecular Formula: | C19 H17 Cl N2 O3 S |
| Smiles: | CC12CC(c3cccc(c3O2)[Cl])NC(N1c1ccc(cc1)C(=O)OC)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3035 |
| logD: | 4.3035 |
| logSw: | -4.5141 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.772 |
| InChI Key: | SULBMIOFUUXPJR-UHFFFAOYSA-N |