3-(5-bromo-2-hydroxyphenyl)-2-cyano-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-(5-bromo-2-hydroxyphenyl)-2-cyano-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-(5-bromo-2-hydroxyphenyl)-2-cyano-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 4011-0166 |
| Compound Name: | 3-(5-bromo-2-hydroxyphenyl)-2-cyano-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 457.3 |
| Molecular Formula: | C19 H13 Br N4 O3 S |
| Smiles: | C(c1nnc(NC(C(=C/c2cc(ccc2O)[Br])\C#N)=O)s1)Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.47 |
| logD: | 2.55 |
| logSw: | -4.97 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 179.25 |
| InChI Key: | KIEABVFVZJGBIC-UHFFFAOYSA-N |