N-(3-chloro-2-methylphenyl)-4-{[2-(3-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-4-{[2-(3-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
N-(3-chloro-2-methylphenyl)-4-{[2-(3-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
Compound characteristics
| Compound ID: | G768-1586 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-4-{[2-(3-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: | Cc1c(cccc1[Cl])NC(N1CCN(CC1)CC1=CC(N2C(=N1)SC(c1cccc(c1)OC)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9106 |
| logD: | 3.826 |
| logSw: | -4.2808 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.126 |
| InChI Key: | VQHUZXYRIHHTHB-UHFFFAOYSA-N |