3-(5-bromo-2-hydroxyphenyl)-2-cyano-N~1~-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-(5-bromo-2-hydroxyphenyl)-2-cyano-N~1~-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-(5-bromo-2-hydroxyphenyl)-2-cyano-N~1~-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 4011-0130 |
| Compound Name: | 3-(5-bromo-2-hydroxyphenyl)-2-cyano-N~1~-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 441.3 |
| Molecular Formula: | C19 H13 Br N4 O2 S |
| Smiles: | Cc1ccc(cc1)c1nnc(NC(C(=C/c2cc(ccc2O)[Br])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.2 |
| logD: | 4.85 |
| logSw: | -6.06 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 169.57 |
| InChI Key: | RPYSOLLFJBSVCW-UHFFFAOYSA-N |