4-({5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}carbamoyl)phenyl acetate
Chemical Structure Depiction of
4-({5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}carbamoyl)phenyl acetate
4-({5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}carbamoyl)phenyl acetate
Compound characteristics
| Compound ID: | Y030-8811 |
| Compound Name: | 4-({5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}carbamoyl)phenyl acetate |
| Molecular Weight: | 413.45 |
| Molecular Formula: | C20 H19 N3 O5 S |
| Smiles: | CC(=O)Oc1ccc(cc1)C(Nc1nnc(Cc2ccc(c(c2)OC)OC)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8343 |
| logD: | 2.6562 |
| logSw: | -3.4817 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.11 |
| InChI Key: | FLVKAPRVWNAIEM-UHFFFAOYSA-N |