2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}acetamide
Chemical Structure Depiction of
2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}acetamide
2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}acetamide
Compound characteristics
Compound ID: | P160-0054 |
Compound Name: | 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}acetamide |
Molecular Weight: | 553.64 |
Molecular Formula: | C23 H19 N7 O4 S3 |
Smiles: | CCc1nnc(NS(c2ccc(cc2)NC(CSC2NC(C(C#N)=C(c3ccccc3)N=2)=O)=O)(=O)=O)s1 |
Stereo: | ACHIRAL |
logP: | 2.8155 |
logD: | -0.7375 |
logSw: | -3.4962 |
Hydrogen bond acceptors count: | 13 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 139.278 |
InChI Key: | WCPRYFJFPLYMOA-UHFFFAOYSA-N |