3-(3-allyl-4-hydroxy-5-methoxyphenyl)-2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-(3-allyl-4-hydroxy-5-methoxyphenyl)-2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-(3-allyl-4-hydroxy-5-methoxyphenyl)-2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C146-1560 |
| Compound Name: | 3-(3-allyl-4-hydroxy-5-methoxyphenyl)-2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 402.49 |
| Molecular Formula: | C18 H18 N4 O3 S2 |
| Smiles: | CCSc1nc(NC(C(=C/c2cc(CC=C)c(c(c2)OC)O)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 4.39 |
| logD: | 3.72 |
| logSw: | -5.06 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 208.13 |
| InChI Key: | JZVXVRLHBVZNJN-UHFFFAOYSA-N |