2-cyano-3-{1-[2-(3,4-dimethylphenoxy)ethyl]-1H-indol-3-yl}-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{1-[2-(3,4-dimethylphenoxy)ethyl]-1H-indol-3-yl}-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-{1-[2-(3,4-dimethylphenoxy)ethyl]-1H-indol-3-yl}-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3797-0433 |
| Compound Name: | 2-cyano-3-{1-[2-(3,4-dimethylphenoxy)ethyl]-1H-indol-3-yl}-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 485.61 |
| Molecular Formula: | C27 H27 N5 O2 S |
| Smiles: | CC(C)c1nnc(NC(C(=C/c2cn(CCOc3ccc(C)c(C)c3)c3ccccc23)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.38 |
| logD: | 4.04 |
| logSw: | -7.26 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 141.16 |
| InChI Key: | PGPSGODPIDMUDJ-UHFFFAOYSA-N |