N-(3,4-dimethylphenyl)-2-ethyl-7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-sulfonamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-2-ethyl-7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-sulfonamide
N-(3,4-dimethylphenyl)-2-ethyl-7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-sulfonamide
Compound characteristics
Compound ID: | C301-5286 |
Compound Name: | N-(3,4-dimethylphenyl)-2-ethyl-7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-sulfonamide |
Molecular Weight: | 378.47 |
Molecular Formula: | C16 H18 N4 O3 S2 |
Smiles: | CCC1=NN2C(=NC(C)=C(C2=O)S(Nc2ccc(C)c(C)c2)(=O)=O)S1 |
Stereo: | ACHIRAL |
logP: | 3.1531 |
logD: | 2.656 |
logSw: | -3.3504 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 78.007 |
InChI Key: | NTIRRDNRSSZMHP-UHFFFAOYSA-N |