3-(3-allyl-4-hydroxy-5-methoxyphenyl)-2-cyano-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-(3-allyl-4-hydroxy-5-methoxyphenyl)-2-cyano-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-(3-allyl-4-hydroxy-5-methoxyphenyl)-2-cyano-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C146-5632 |
| Compound Name: | 3-(3-allyl-4-hydroxy-5-methoxyphenyl)-2-cyano-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 430.55 |
| Molecular Formula: | C20 H22 N4 O3 S2 |
| Smiles: | CC(C)CSc1nc(NC(C(=C/c2cc(CC=C)c(c(c2)OC)O)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 5.19 |
| logD: | 4.51 |
| logSw: | -6.16 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 210.92 |
| InChI Key: | ANZGTUCULBEQJN-UHFFFAOYSA-N |