2-methyl-N-(2-methylphenyl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Chemical Structure Depiction of
2-methyl-N-(2-methylphenyl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
2-methyl-N-(2-methylphenyl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | 8014-9879 |
| Compound Name: | 2-methyl-N-(2-methylphenyl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 353.44 |
| Molecular Formula: | C19 H19 N3 O2 S |
| Smiles: | Cc1ccccc1NC(C1C2c3ccccc3OC1(C)NC(N2)=S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0238 |
| logD: | 3.0236 |
| logSw: | -3.4583 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 53.927 |
| InChI Key: | VLTVFVRODRADJM-UHFFFAOYSA-N |