propan-2-yl 2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
propan-2-yl 2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Compound characteristics
| Compound ID: | Y509-0711 |
| Compound Name: | propan-2-yl 2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate |
| Molecular Weight: | 306.38 |
| Molecular Formula: | C15 H18 N2 O3 S |
| Smiles: | CC(C)OC(C1C2c3ccccc3OC1(C)NC(N2)=S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6462 |
| logD: | 2.6462 |
| logSw: | -3.3143 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.966 |
| InChI Key: | XPIMPAKFPWKGIR-UHFFFAOYSA-N |