8-bromo-N-(4-chlorophenyl)-2-methyl-3-(3-methylphenyl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Chemical Structure Depiction of
8-bromo-N-(4-chlorophenyl)-2-methyl-3-(3-methylphenyl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
8-bromo-N-(4-chlorophenyl)-2-methyl-3-(3-methylphenyl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-0931 |
| Compound Name: | 8-bromo-N-(4-chlorophenyl)-2-methyl-3-(3-methylphenyl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 542.88 |
| Molecular Formula: | C25 H21 Br Cl N3 O2 S |
| Smiles: | Cc1cccc(c1)N1C(NC2C(C(Nc3ccc(cc3)[Cl])=O)C1(C)Oc1ccc(cc12)[Br])=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.4598 |
| logD: | 6.4366 |
| logSw: | -6.2938 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 43.603 |
| InChI Key: | YNVABAVNRULNOU-UHFFFAOYSA-N |