ethyl 4-[11-(dimethylcarbamoyl)-10-ethoxy-2-methyl-4-sulfanylidene-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl]benzoate
Chemical Structure Depiction of
ethyl 4-[11-(dimethylcarbamoyl)-10-ethoxy-2-methyl-4-sulfanylidene-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl]benzoate
ethyl 4-[11-(dimethylcarbamoyl)-10-ethoxy-2-methyl-4-sulfanylidene-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl]benzoate
Compound characteristics
| Compound ID: | K272-1649 |
| Compound Name: | ethyl 4-[11-(dimethylcarbamoyl)-10-ethoxy-2-methyl-4-sulfanylidene-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl]benzoate |
| Molecular Weight: | 483.59 |
| Molecular Formula: | C25 H29 N3 O5 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(NC2C(C(N(C)C)=O)C1(C)Oc1c2cccc1OCC)=S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6684 |
| logD: | 3.6684 |
| logSw: | -4.0139 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.161 |
| InChI Key: | PGTDBSVGRAUFJA-UHFFFAOYSA-N |