N-(2,4-dimethylphenyl)-10-methoxy-3-(4-methoxyphenyl)-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-3-(4-methoxyphenyl)-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-3-(4-methoxyphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-1276 |
| Compound Name: | N-(2,4-dimethylphenyl)-10-methoxy-3-(4-methoxyphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 503.62 |
| Molecular Formula: | C28 H29 N3 O4 S |
| Smiles: | Cc1ccc(c(C)c1)NC(C1C2c3cccc(c3OC1(C)N(C(N2)=S)c1ccc(cc1)OC)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.278 |
| logD: | 5.2771 |
| logSw: | -5.1387 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.764 |
| InChI Key: | BGFAJLLYWXZGMJ-UHFFFAOYSA-N |