2-cyano-N~1~-[5-(3,4-diethoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-(2-methyl-1H-indol-3-yl)acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[5-(3,4-diethoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-(2-methyl-1H-indol-3-yl)acrylamide
2-cyano-N~1~-[5-(3,4-diethoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-(2-methyl-1H-indol-3-yl)acrylamide
Compound characteristics
| Compound ID: | 8015-6431 |
| Compound Name: | 2-cyano-N~1~-[5-(3,4-diethoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-(2-methyl-1H-indol-3-yl)acrylamide |
| Molecular Weight: | 487.58 |
| Molecular Formula: | C26 H25 N5 O3 S |
| Smiles: | CCOc1ccc(Cc2nnc(NC(C(=C/c3c4ccccc4[nH]c3C)\C#N)=O)s2)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 4.7 |
| logD: | 3.67 |
| logSw: | -5.45 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 157.56 |
| InChI Key: | RGIJUXPJYXAPBG-UHFFFAOYSA-N |