3-{4-[(2-chlorobenzyl)oxy]phenyl}-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-{4-[(2-chlorobenzyl)oxy]phenyl}-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-{4-[(2-chlorobenzyl)oxy]phenyl}-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0594 |
| Compound Name: | 3-{4-[(2-chlorobenzyl)oxy]phenyl}-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 488.97 |
| Molecular Formula: | C21 H17 Cl N4 O4 S2 |
| Smiles: | CCS(c1nnc(NC(C(=C/c2ccc(cc2)OCc2ccccc2[Cl])\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.51 |
| logD: | 2.16 |
| logSw: | -5.32 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 210.28 |
| InChI Key: | ZXLCQXZESRBFPL-UHFFFAOYSA-N |