2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-{1-[2-(2-methylphenoxy)ethyl]-1H-indol-3-yl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-{1-[2-(2-methylphenoxy)ethyl]-1H-indol-3-yl}acrylamide
2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-{1-[2-(2-methylphenoxy)ethyl]-1H-indol-3-yl}acrylamide
Compound characteristics
| Compound ID: | 4277-0562 |
| Compound Name: | 2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-{1-[2-(2-methylphenoxy)ethyl]-1H-indol-3-yl}acrylamide |
| Molecular Weight: | 485.61 |
| Molecular Formula: | C27 H27 N5 O2 S |
| Smiles: | CC(C)Cc1nnc(NC(C(=C/c2cn(CCOc3ccccc3C)c3ccccc23)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.22 |
| logD: | 3.86 |
| logSw: | -7.05 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 138.5 |
| InChI Key: | UEATXROWWWBFRV-UHFFFAOYSA-N |