N-{4-acetyl-5-[4-(benzyloxy)-3-bromophenyl]-4,5-dihydro-1,3,4-thiadiazol-2-yl}acetamide
Chemical Structure Depiction of
N-{4-acetyl-5-[4-(benzyloxy)-3-bromophenyl]-4,5-dihydro-1,3,4-thiadiazol-2-yl}acetamide
N-{4-acetyl-5-[4-(benzyloxy)-3-bromophenyl]-4,5-dihydro-1,3,4-thiadiazol-2-yl}acetamide
Compound characteristics
| Compound ID: | D336-7129 |
| Compound Name: | N-{4-acetyl-5-[4-(benzyloxy)-3-bromophenyl]-4,5-dihydro-1,3,4-thiadiazol-2-yl}acetamide |
| Molecular Weight: | 448.34 |
| Molecular Formula: | C19 H18 Br N3 O3 S |
| Smiles: | CC(NC1=NN(C(c2ccc(c(c2)[Br])OCc2ccccc2)S1)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7122 |
| logD: | 3.6658 |
| logSw: | -3.9962 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.457 |
| InChI Key: | NRGBYAAXPHANLN-SFHVURJKSA-N |