3-{3-chloro-5-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-{3-chloro-5-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-{3-chloro-5-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0656 |
| Compound Name: | 3-{3-chloro-5-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 533.02 |
| Molecular Formula: | C23 H21 Cl N4 O5 S2 |
| Smiles: | CCS(c1nnc(NC(C(=C/c2cc(c(c(c2)[Cl])OCc2ccc(C)cc2)OC)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.24 |
| logD: | 2.89 |
| logSw: | -6.41 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 205.65 |
| InChI Key: | NKJCVMMOSGGKRX-UHFFFAOYSA-N |