3-(3-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-(3-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-(3-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: | K272-1235 |
Compound Name: | 3-(3-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)c1cccc(c1)[Cl])=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 6.0036 |
logD: | 6.0027 |
logSw: | -6.0534 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 42.906 |
InChI Key: | JWCOUDHRUMXTJH-UHFFFAOYSA-N |