N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Chemical Structure Depiction of
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | 5628-1043 |
| Compound Name: | N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C19 H25 N3 O4 S |
| Smiles: | CC(C)(C)Cc1nnc(NC(/C=C/c2cc(c(c(c2)OC)OC)OC)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.2821 |
| logD: | 4.2195 |
| logSw: | -4.3053 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.134 |
| InChI Key: | ROSVCDGXOHSIEE-UHFFFAOYSA-N |