N-(2,4-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-(2,4-dimethylphenyl)-10-methoxy-2-methyl-4-sulfanylidene-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-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-1267 |
| Compound Name: | N-(2,4-dimethylphenyl)-10-methoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C21 H23 N3 O3 S |
| Smiles: | Cc1ccc(c(C)c1)NC(C1C2c3cccc(c3OC1(C)NC(N2)=S)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6431 |
| logD: | 3.6428 |
| logSw: | -3.9302 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.242 |
| InChI Key: | IKGXDRYXDQGKIY-UHFFFAOYSA-N |