3-{1-[2-(4-allyl-2-methoxyphenoxy)ethyl]-1H-indol-3-yl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{1-[2-(4-allyl-2-methoxyphenoxy)ethyl]-1H-indol-3-yl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{1-[2-(4-allyl-2-methoxyphenoxy)ethyl]-1H-indol-3-yl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-0739 |
| Compound Name: | 3-{1-[2-(4-allyl-2-methoxyphenoxy)ethyl]-1H-indol-3-yl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 499.59 |
| Molecular Formula: | C27 H25 N5 O3 S |
| Smiles: | Cc1nnc(NC(C(=C/c2cn(CCOc3ccc(CC=C)cc3OC)c3ccccc23)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.67 |
| logD: | 2.29 |
| logSw: | -5.14 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 156.35 |
| InChI Key: | ATVVYPKYOLCNSC-UHFFFAOYSA-N |