3-(4-chlorophenyl)-8-methoxy-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-(4-chlorophenyl)-8-methoxy-N,N,2-trimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
3-(4-chlorophenyl)-8-methoxy-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: | K272-1503 |
| Compound Name: | 3-(4-chlorophenyl)-8-methoxy-N,N,2-trimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 431.94 |
| Molecular Formula: | C21 H22 Cl N3 O3 S |
| Smiles: | CC12C(C(c3cc(ccc3O2)OC)NC(N1c1ccc(cc1)[Cl])=S)C(N(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2618 |
| logD: | 3.2618 |
| logSw: | -3.9201 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.056 |
| InChI Key: | KRMREBSOPQCLBS-UHFFFAOYSA-N |