N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3,4,5-trimethoxyphenyl)acrylamide
Chemical Structure Depiction of
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3,4,5-trimethoxyphenyl)acrylamide
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3,4,5-trimethoxyphenyl)acrylamide
Compound characteristics
| Compound ID: | 4272-0007 |
| Compound Name: | N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3,4,5-trimethoxyphenyl)acrylamide |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C19 H22 N4 O4 S |
| Smiles: | CCCCc1nnc(NC(C(=C/c2cc(c(c(c2)OC)OC)OC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.97 |
| logD: | 2.04 |
| logSw: | -4.79 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 170.11 |
| InChI Key: | IKAGMDPJZZMDDL-UHFFFAOYSA-N |