3-(2-methoxyphenyl)-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
3-(2-methoxyphenyl)-N,N,2-trimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
3-(2-methoxyphenyl)-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: | K272-1468 |
| Compound Name: | 3-(2-methoxyphenyl)-N,N,2-trimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C21 H23 N3 O3 S |
| Smiles: | CC12C(C(c3ccccc3O2)NC(N1c1ccccc1OC)=S)C(N(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4774 |
| logD: | 2.4774 |
| logSw: | -2.8172 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.842 |
| InChI Key: | BUMDNMSKKFWGSQ-UHFFFAOYSA-N |