N~3~-[(benzyloxy)acetyl]-N~3~-[2-(3,4-dimethoxyphenyl)ethyl]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-[(benzyloxy)acetyl]-N~3~-[2-(3,4-dimethoxyphenyl)ethyl]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-beta-alaninamide
N~3~-[(benzyloxy)acetyl]-N~3~-[2-(3,4-dimethoxyphenyl)ethyl]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-beta-alaninamide
Compound characteristics
| Compound ID: | V025-1727 |
| Compound Name: | N~3~-[(benzyloxy)acetyl]-N~3~-[2-(3,4-dimethoxyphenyl)ethyl]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-beta-alaninamide |
| Molecular Weight: | 574.7 |
| Molecular Formula: | C31 H34 N4 O5 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)c1nnc(NC(CCN(CCc2ccc(c(c2)OC)OC)C(COCc2ccccc2)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.365 |
| logD: | 4.3647 |
| logSw: | -4.3515 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.725 |
| InChI Key: | VOBFLYGOKIRLAD-UHFFFAOYSA-N |