3-(5-bromo-2-hydroxyphenyl)-2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-(5-bromo-2-hydroxyphenyl)-2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acrylamide
3-(5-bromo-2-hydroxyphenyl)-2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4011-0120 |
| Compound Name: | 3-(5-bromo-2-hydroxyphenyl)-2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 433.32 |
| Molecular Formula: | C18 H17 Br N4 O2 S |
| Smiles: | C1CCC(CC1)c1nnc(NC(C(=C/c2cc(ccc2O)[Br])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.04 |
| logD: | 3.43 |
| logSw: | -5.71 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 169.36 |
| InChI Key: | BCAPMRXWFPPNDF-UHFFFAOYSA-N |