N-{4-acetyl-5-[4-(benzyloxy)-3-bromo-5-methoxyphenyl]-4,5-dihydro-1,3,4-thiadiazol-2-yl}acetamide
Chemical Structure Depiction of
N-{4-acetyl-5-[4-(benzyloxy)-3-bromo-5-methoxyphenyl]-4,5-dihydro-1,3,4-thiadiazol-2-yl}acetamide
N-{4-acetyl-5-[4-(benzyloxy)-3-bromo-5-methoxyphenyl]-4,5-dihydro-1,3,4-thiadiazol-2-yl}acetamide
Compound characteristics
| Compound ID: | D336-6455 |
| Compound Name: | N-{4-acetyl-5-[4-(benzyloxy)-3-bromo-5-methoxyphenyl]-4,5-dihydro-1,3,4-thiadiazol-2-yl}acetamide |
| Molecular Weight: | 478.36 |
| Molecular Formula: | C20 H20 Br N3 O4 S |
| Smiles: | CC(NC1=NN(C(c2cc(c(c(c2)[Br])OCc2ccccc2)OC)S1)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8071 |
| logD: | 3.7607 |
| logSw: | -4.075 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.174 |
| InChI Key: | BCJOBHNSNFBNPE-IBGZPJMESA-N |