N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-ethylbutanamide
Chemical Structure Depiction of
N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-ethylbutanamide
N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-ethylbutanamide
Compound characteristics
| Compound ID: | Y030-9014 |
| Compound Name: | N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-ethylbutanamide |
| Molecular Weight: | 349.45 |
| Molecular Formula: | C17 H23 N3 O3 S |
| Smiles: | CCC(CC)C(Nc1nnc(Cc2ccc(c(c2)OC)OC)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4222 |
| logD: | 3.3656 |
| logSw: | -3.6439 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.631 |
| InChI Key: | MQLVWXGRWIMCDN-UHFFFAOYSA-N |