N-(2,4-dimethylphenyl)-2,8-dimethyl-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)-2,8-dimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
N-(2,4-dimethylphenyl)-2,8-dimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-1387 |
| Compound Name: | N-(2,4-dimethylphenyl)-2,8-dimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 381.5 |
| Molecular Formula: | C21 H23 N3 O2 S |
| Smiles: | Cc1ccc(c(C)c1)NC(C1C2c3cc(C)ccc3OC1(C)NC(N2)=S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1114 |
| logD: | 4.1111 |
| logSw: | -4.2827 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 53.927 |
| InChI Key: | HFSMKRDADMRIGN-UHFFFAOYSA-N |