2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-[3-methoxy-4-(1-phenylethoxy)phenyl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-[3-methoxy-4-(1-phenylethoxy)phenyl]acrylamide
2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-[3-methoxy-4-(1-phenylethoxy)phenyl]acrylamide
Compound characteristics
| Compound ID: | C356-0518 |
| Compound Name: | 2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-[3-methoxy-4-(1-phenylethoxy)phenyl]acrylamide |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C23 H22 N4 O5 S2 |
| Smiles: | CCS(c1nnc(NC(C(=C/c2ccc(c(c2)OC)OC(C)c2ccccc2)\C#N)=O)s1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.48 |
| logD: | 2.13 |
| logSw: | -5.03 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 219.16 |
| InChI Key: | QYDCDPPNYCHFGL-HNNXBMFYSA-N |