2-cyano-3-[5-nitro-2-(2-phenoxyethoxy)phenyl]-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[5-nitro-2-(2-phenoxyethoxy)phenyl]-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-[5-nitro-2-(2-phenoxyethoxy)phenyl]-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3773-1433 |
| Compound Name: | 2-cyano-3-[5-nitro-2-(2-phenoxyethoxy)phenyl]-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 479.51 |
| Molecular Formula: | C23 H21 N5 O5 S |
| Smiles: | CCCc1nnc(NC(C(=C/c2cc(ccc2OCCOc2ccccc2)[N+]([O-])=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.36 |
| logD: | 3.73 |
| logSw: | -6.05 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 237.5 |
| InChI Key: | FYRKPIFWKGOMNC-UHFFFAOYSA-N |