N-(2,4-dimethylphenyl)-10-methoxy-2-methyl-4-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Chemical Structure Depiction of
N-(2,4-dimethylphenyl)-10-methoxy-2-methyl-4-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
N-(2,4-dimethylphenyl)-10-methoxy-2-methyl-4-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-2091 |
| Compound Name: | N-(2,4-dimethylphenyl)-10-methoxy-2-methyl-4-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 541.59 |
| Molecular Formula: | C28 H26 F3 N3 O3 S |
| Smiles: | Cc1ccc(c(C)c1)NC(C1C2c3cccc(c3OC1(C)N(C(N2)=S)c1cccc(c1)C(F)(F)F)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1522 |
| logD: | 6.1513 |
| logSw: | -5.5711 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.22 |
| InChI Key: | GFEIFBYXPSTDAS-UHFFFAOYSA-N |