3-{4-[(4-bromobenzyl)oxy]-3-methoxyphenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{4-[(4-bromobenzyl)oxy]-3-methoxyphenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{4-[(4-bromobenzyl)oxy]-3-methoxyphenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3797-0643 |
| Compound Name: | 3-{4-[(4-bromobenzyl)oxy]-3-methoxyphenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 513.41 |
| Molecular Formula: | C23 H21 Br N4 O3 S |
| Smiles: | CC(C)c1nnc(NC(C(=C/c2ccc(c(c2)OC)OCc2ccc(cc2)[Br])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.6 |
| logD: | 3.69 |
| logSw: | -6.45 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 154.69 |
| InChI Key: | OYIISUWRYVCYQK-UHFFFAOYSA-N |