N-(4-chlorophenyl)-3-(2,3-dimethylphenyl)-10-methoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-3-(2,3-dimethylphenyl)-10-methoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
N-(4-chlorophenyl)-3-(2,3-dimethylphenyl)-10-methoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-0877 |
| Compound Name: | N-(4-chlorophenyl)-3-(2,3-dimethylphenyl)-10-methoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 508.04 |
| Molecular Formula: | C27 H26 Cl N3 O3 S |
| Smiles: | Cc1cccc(c1C)N1C(NC2C(C(Nc3ccc(cc3)[Cl])=O)C1(C)Oc1c2cccc1OC)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0805 |
| logD: | 6.0573 |
| logSw: | -6.1644 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.617 |
| InChI Key: | RWYWEGIRVHRSAW-UHFFFAOYSA-N |