methyl 4-(8-ethyl-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-(8-ethyl-2-methyl-4-sulfanylidene-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzoate
methyl 4-(8-ethyl-2-methyl-4-sulfanylidene-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzoate
Compound characteristics
| Compound ID: | K272-2793 |
| Compound Name: | methyl 4-(8-ethyl-2-methyl-4-sulfanylidene-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzoate |
| Molecular Weight: | 382.48 |
| Molecular Formula: | C21 H22 N2 O3 S |
| Smiles: | CCc1ccc2c(c1)C1CC(C)(N(C(N1)=S)c1ccc(cc1)C(=O)OC)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6174 |
| logD: | 4.6174 |
| logSw: | -4.546 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.088 |
| InChI Key: | AONOGFJPZAYCNV-UHFFFAOYSA-N |