4-(2-cyano-3-{[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 4-fluorobenzoate
					Chemical Structure Depiction of
4-(2-cyano-3-{[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 4-fluorobenzoate
			4-(2-cyano-3-{[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 4-fluorobenzoate
Compound characteristics
| Compound ID: | C356-1239 | 
| Compound Name: | 4-(2-cyano-3-{[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 4-fluorobenzoate | 
| Molecular Weight: | 544.58 | 
| Molecular Formula: | C24 H21 F N4 O6 S2 | 
| Smiles: | CC(C)CS(c1nnc(NC(C(=C/c2ccc(c(c2)OC)OC(c2ccc(cc2)F)=O)\C#N)=O)s1)(=O)=O | 
| Stereo: | ACHIRAL | 
| logP: | 4.7 | 
| logD: | 2.34 | 
| logSw: | -5.54 | 
| Hydrogen bond acceptors count: | 13 | 
| Hydrogen bond donors count: | 1 | 
| Polar surface area: | 251.21 | 
| InChI Key: | WNYXDDOAJQWUES-UHFFFAOYSA-N | 
 
				 
				