N-(4-acetyl-5-{3-bromo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide
Chemical Structure Depiction of
N-(4-acetyl-5-{3-bromo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide
N-(4-acetyl-5-{3-bromo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | D336-6696 |
| Compound Name: | N-(4-acetyl-5-{3-bromo-5-methoxy-4-[(2-methylphenyl)methoxy]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(c2cc(c(c(c2)[Br])OCc2ccccc2C)OC)S1)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3876 |
| logD: | 4.3411 |
| logSw: | -4.3215 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.174 |
| InChI Key: | TVDJFDHCMYJFFF-FQEVSTJZSA-N |