2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-0062 |
| Compound Name: | 2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 397.28 |
| Molecular Formula: | C16 H14 Cl2 N4 O2 S |
| Smiles: | CC(C)Cc1nnc(NC(C(=C/c2cc(c(c(c2)[Cl])O)[Cl])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.5 |
| logD: | 3.57 |
| logSw: | -5.92 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 160.91 |
| InChI Key: | CVAYBUAGYWVWIS-UHFFFAOYSA-N |