N-(4-chlorophenyl)-10-methoxy-3-(2-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-(4-chlorophenyl)-10-methoxy-3-(2-methoxyphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
N-(4-chlorophenyl)-10-methoxy-3-(2-methoxyphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-1944 |
| Compound Name: | N-(4-chlorophenyl)-10-methoxy-3-(2-methoxyphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 510.01 |
| Molecular Formula: | C26 H24 Cl N3 O4 S |
| Smiles: | CC12C(C(c3cccc(c3O2)OC)NC(N1c1ccccc1OC)=S)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9684 |
| logD: | 4.9453 |
| logSw: | -5.1083 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.248 |
| InChI Key: | GHJRHVMYAXGLAR-UHFFFAOYSA-N |