2-cyano-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)acrylamide
2-cyano-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)acrylamide
Compound characteristics
| Compound ID: | 4011-0156 |
| Compound Name: | 2-cyano-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)acrylamide |
| Molecular Weight: | 452.49 |
| Molecular Formula: | C22 H20 N4 O5 S |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nnc(COc3ccccc3)s2)=O)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.8 |
| logD: | 1.58 |
| logSw: | -4.85 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 179.09 |
| InChI Key: | SNTGVCWTYXZDDV-UHFFFAOYSA-N |