ethyl 4-[8-bromo-11-(dimethylcarbamoyl)-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-[8-bromo-11-(dimethylcarbamoyl)-2-methyl-4-sulfanylidene-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl]benzoate
ethyl 4-[8-bromo-11-(dimethylcarbamoyl)-2-methyl-4-sulfanylidene-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl]benzoate
Compound characteristics
| Compound ID: | K272-1499 |
| Compound Name: | ethyl 4-[8-bromo-11-(dimethylcarbamoyl)-2-methyl-4-sulfanylidene-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl]benzoate |
| Molecular Weight: | 518.43 |
| Molecular Formula: | C23 H24 Br N3 O4 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(NC2C(C(N(C)C)=O)C1(C)Oc1ccc(cc12)[Br])=S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0032 |
| logD: | 4.0032 |
| logSw: | -4.2521 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.266 |
| InChI Key: | YKEHFPPNYDBGEH-UHFFFAOYSA-N |