methyl 3-ethyl-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-8-carboxylate
Chemical Structure Depiction of
methyl 3-ethyl-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-8-carboxylate
methyl 3-ethyl-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-8-carboxylate
Compound characteristics
| Compound ID: | K272-2766 |
| Compound Name: | methyl 3-ethyl-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-8-carboxylate |
| Molecular Weight: | 306.38 |
| Molecular Formula: | C15 H18 N2 O3 S |
| Smiles: | CCN1C(NC2CC1(C)Oc1ccc(cc12)C(=O)OC)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0059 |
| logD: | 3.0059 |
| logSw: | -3.3755 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.696 |
| InChI Key: | NVIITTPYTOEFPR-UHFFFAOYSA-N |