3-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Chemical Structure Depiction of
3-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
3-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-1233 |
| Compound Name: | 3-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 478.01 |
| Molecular Formula: | C26 H24 Cl N3 O2 S |
| Smiles: | Cc1ccc(c(C)c1)NC(C1C2c3ccccc3OC1(C)N(C(N2)=S)c1ccc(cc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9588 |
| logD: | 5.9579 |
| logSw: | -6.1261 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.906 |
| InChI Key: | ABQJQXWOJCFPBL-UHFFFAOYSA-N |