ethyl 4-(2-methyl-4-sulfanylidene-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(2-methyl-4-sulfanylidene-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzoate
ethyl 4-(2-methyl-4-sulfanylidene-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzoate
Compound characteristics
| Compound ID: | K272-2446 |
| Compound Name: | ethyl 4-(2-methyl-4-sulfanylidene-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzoate |
| Molecular Weight: | 368.45 |
| Molecular Formula: | C20 H20 N2 O3 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(NC2CC1(C)Oc1ccccc12)=S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1878 |
| logD: | 4.1878 |
| logSw: | -4.2784 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.668 |
| InChI Key: | UNAXJUIGYCIKRC-UHFFFAOYSA-N |