N-{[2-(2-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-(3-methylphenoxy)propanamide
Chemical Structure Depiction of
N-{[2-(2-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-(3-methylphenoxy)propanamide
N-{[2-(2-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-(3-methylphenoxy)propanamide
Compound characteristics
Compound ID: | F527-0652 |
Compound Name: | N-{[2-(2-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-(3-methylphenoxy)propanamide |
Molecular Weight: | 454.93 |
Molecular Formula: | C22 H19 Cl N4 O3 S |
Smiles: | CC(C(NCC1=CC(N2C(=N1)SC(c1ccccc1[Cl])=N2)=O)=O)Oc1cccc(C)c1 |
Stereo: | RACEMIC MIXTURE |
logP: | 3.7234 |
logD: | 3.7232 |
logSw: | -3.9619 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 69.473 |
InChI Key: | BNQXFGSSZFZRBU-AWEZNQCLSA-N |