N,N,2-trimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Chemical Structure Depiction of
N,N,2-trimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
N,N,2-trimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-1451 |
| Compound Name: | N,N,2-trimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 291.37 |
| Molecular Formula: | C14 H17 N3 O2 S |
| Smiles: | CC12C(C(c3ccccc3O2)NC(N1)=S)C(N(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.9655 |
| logD: | 0.9655 |
| logSw: | -2.1666 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.534 |
| InChI Key: | NLNMWOKFEAEQGN-UHFFFAOYSA-N |