2-chloro-4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2-thiophenecarboxylate
Chemical Structure Depiction of
2-chloro-4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2-thiophenecarboxylate
2-chloro-4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2-thiophenecarboxylate
Compound characteristics
| Compound ID: | C355-1320 |
| Compound Name: | 2-chloro-4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2-thiophenecarboxylate |
| Molecular Weight: | 523.01 |
| Molecular Formula: | C20 H15 Cl N4 O5 S3 |
| Smiles: | CC(C)S(c1nc(NC(C(=C/c2ccc(c(c2)[Cl])OC(c2cccs2)=O)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.55 |
| logD: | 2.2 |
| logSw: | -5.17 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 217.29 |
| InChI Key: | FBDBRBWRYKVUSY-UHFFFAOYSA-N |