N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3,3-dimethylbutanamide
Chemical Structure Depiction of
N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3,3-dimethylbutanamide
N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3,3-dimethylbutanamide
Compound characteristics
| Compound ID: | Y030-8919 |
| Compound Name: | N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3,3-dimethylbutanamide |
| Molecular Weight: | 349.45 |
| Molecular Formula: | C17 H23 N3 O3 S |
| Smiles: | CC(C)(C)CC(Nc1nnc(Cc2ccc(c(c2)OC)OC)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4874 |
| logD: | 3.4373 |
| logSw: | -3.7318 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.417 |
| InChI Key: | YRUCMHSJAIVZBP-UHFFFAOYSA-N |