N-{4-acetyl-5-[3-bromo-4-(3-phenoxypropoxy)phenyl]-4,5-dihydro-1,3,4-thiadiazol-2-yl}acetamide
Chemical Structure Depiction of
N-{4-acetyl-5-[3-bromo-4-(3-phenoxypropoxy)phenyl]-4,5-dihydro-1,3,4-thiadiazol-2-yl}acetamide
N-{4-acetyl-5-[3-bromo-4-(3-phenoxypropoxy)phenyl]-4,5-dihydro-1,3,4-thiadiazol-2-yl}acetamide
Compound characteristics
| Compound ID: | D336-7208 |
| Compound Name: | N-{4-acetyl-5-[3-bromo-4-(3-phenoxypropoxy)phenyl]-4,5-dihydro-1,3,4-thiadiazol-2-yl}acetamide |
| Molecular Weight: | 492.39 |
| Molecular Formula: | C21 H22 Br N3 O4 S |
| Smiles: | CC(NC1=NN(C(c2ccc(c(c2)[Br])OCCCOc2ccccc2)S1)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1395 |
| logD: | 4.0931 |
| logSw: | -4.1766 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.793 |
| InChI Key: | AHRJVAARBVMPCG-FQEVSTJZSA-N |