N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Chemical Structure Depiction of
N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | Y032-2515 |
| Compound Name: | N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(3,4,5-trimethoxyphenyl)prop-2-enamide |
| Molecular Weight: | 445.92 |
| Molecular Formula: | C21 H20 Cl N3 O4 S |
| Smiles: | COc1cc(/C=C/C(Nc2nnc(Cc3ccc(cc3)[Cl])s2)=O)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.6314 |
| logD: | 4.6163 |
| logSw: | -4.8616 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.863 |
| InChI Key: | GSMXGVNEOXGCNY-UHFFFAOYSA-N |