2-chloro-4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl 2-thiophenecarboxylate
Chemical Structure Depiction of
2-chloro-4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl 2-thiophenecarboxylate
2-chloro-4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl 2-thiophenecarboxylate
Compound characteristics
| Compound ID: | C356-0764 |
| Compound Name: | 2-chloro-4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl 2-thiophenecarboxylate |
| Molecular Weight: | 539.01 |
| Molecular Formula: | C20 H15 Cl N4 O6 S3 |
| Smiles: | CCS(c1nnc(NC(C(=C/c2cc(c(c(c2)[Cl])OC(c2cccs2)=O)OC)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.68 |
| logD: | 2.32 |
| logSw: | -5.42 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 236.02 |
| InChI Key: | OZTLAWJWMQPUCD-UHFFFAOYSA-N |