2-cyano-3-{1-[2-(3-methoxyphenoxy)ethyl]-1H-indol-3-yl}-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{1-[2-(3-methoxyphenoxy)ethyl]-1H-indol-3-yl}-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{1-[2-(3-methoxyphenoxy)ethyl]-1H-indol-3-yl}-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 4011-0753 |
| Compound Name: | 2-cyano-3-{1-[2-(3-methoxyphenoxy)ethyl]-1H-indol-3-yl}-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 551.62 |
| Molecular Formula: | C30 H25 N5 O4 S |
| Smiles: | COc1cccc(c1)OCCn1cc(/C=C(/C#N)C(Nc2nnc(COc3ccccc3)s2)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 5.81 |
| logD: | 3.17 |
| logSw: | -6.46 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 170.66 |
| InChI Key: | CMGHOHNAQQBFNO-UHFFFAOYSA-N |