ethyl 4-(2,11-dimethyl-4-sulfanylidene-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(2,11-dimethyl-4-sulfanylidene-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzoate
ethyl 4-(2,11-dimethyl-4-sulfanylidene-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzoate
Compound characteristics
| Compound ID: | C339-0008 |
| Compound Name: | ethyl 4-(2,11-dimethyl-4-sulfanylidene-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzoate |
| Molecular Weight: | 382.48 |
| Molecular Formula: | C21 H22 N2 O3 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(NC2C(C)C1(C)Oc1ccccc12)=S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6121 |
| logD: | 4.6121 |
| logSw: | -4.3669 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.266 |
| InChI Key: | JGRLGWDHVRYQEY-UHFFFAOYSA-N |