N-(2-chloro-4-methylphenyl)-4-{[2-(2-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
Chemical Structure Depiction of
N-(2-chloro-4-methylphenyl)-4-{[2-(2-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
N-(2-chloro-4-methylphenyl)-4-{[2-(2-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
Compound characteristics
Compound ID: | G768-1480 |
Compound Name: | N-(2-chloro-4-methylphenyl)-4-{[2-(2-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide |
Molecular Weight: | 525.03 |
Molecular Formula: | C25 H25 Cl N6 O3 S |
Smiles: | Cc1ccc(c(c1)[Cl])NC(N1CCN(CC1)CC1=CC(N2C(=N1)SC(c1ccccc1OC)=N2)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.5343 |
logD: | 3.4497 |
logSw: | -3.8734 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 74.213 |
InChI Key: | BBJVVPJKIFLKIE-UHFFFAOYSA-N |