N-(4-methoxyphenyl)-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
N-(4-methoxyphenyl)-2-methyl-3-(3-methylphenyl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
N-(4-methoxyphenyl)-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: | K272-1031 |
| Compound Name: | N-(4-methoxyphenyl)-2-methyl-3-(3-methylphenyl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 459.57 |
| Molecular Formula: | C26 H25 N3 O3 S |
| Smiles: | Cc1cccc(c1)N1C(NC2C(C(Nc3ccc(cc3)OC)=O)C1(C)Oc1ccccc12)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0637 |
| logD: | 5.0629 |
| logSw: | -4.7281 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.147 |
| InChI Key: | SENMRYTXYQNTHW-UHFFFAOYSA-N |