ethyl 8-chloro-3-(4-ethylphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Chemical Structure Depiction of
ethyl 8-chloro-3-(4-ethylphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
ethyl 8-chloro-3-(4-ethylphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Compound characteristics
| Compound ID: | K272-0266 |
| Compound Name: | ethyl 8-chloro-3-(4-ethylphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate |
| Molecular Weight: | 430.95 |
| Molecular Formula: | C22 H23 Cl N2 O3 S |
| Smiles: | CCc1ccc(cc1)N1C(NC2C(C(=O)OCC)C1(C)Oc1ccc(cc12)[Cl])=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4811 |
| logD: | 5.4811 |
| logSw: | -5.8151 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.266 |
| InChI Key: | HVNXHYNBUWZQEG-UHFFFAOYSA-N |