N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-pentanamidobenzamide
Chemical Structure Depiction of
N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-pentanamidobenzamide
N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-pentanamidobenzamide
Compound characteristics
| Compound ID: | Y030-9853 |
| Compound Name: | N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-pentanamidobenzamide |
| Molecular Weight: | 454.55 |
| Molecular Formula: | C23 H26 N4 O4 S |
| Smiles: | CCCCC(Nc1ccc(cc1)C(Nc1nnc(Cc2ccc(c(c2)OC)OC)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8746 |
| logD: | 3.4567 |
| logSw: | -4.0728 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.508 |
| InChI Key: | MIVITDQQBRYYAL-UHFFFAOYSA-N |