N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(2-ethylbutanamido)benzamide
Chemical Structure Depiction of
N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(2-ethylbutanamido)benzamide
N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(2-ethylbutanamido)benzamide
Compound characteristics
| Compound ID: | Y031-0024 |
| Compound Name: | N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(2-ethylbutanamido)benzamide |
| Molecular Weight: | 468.57 |
| Molecular Formula: | C24 H28 N4 O4 S |
| Smiles: | CCC(CC)C(Nc1cccc(c1)C(Nc1nnc(Cc2ccc(c(c2)OC)OC)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4753 |
| logD: | 4.1452 |
| logSw: | -4.3673 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.722 |
| InChI Key: | JPQZJGYLGWRUPA-UHFFFAOYSA-N |