N-(3-chloro-2-methylphenyl)-4-{[2-(2-methylphenyl)-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-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
N-(3-chloro-2-methylphenyl)-4-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
Compound characteristics
| Compound ID: | G768-1069 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-4-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide |
| Molecular Weight: | 509.03 |
| Molecular Formula: | C25 H25 Cl N6 O2 S |
| Smiles: | Cc1ccccc1C1=NN2C(=NC(CN3CCN(CC3)C(Nc3cccc(c3C)[Cl])=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.1076 |
| logD: | 4.023 |
| logSw: | -4.3758 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.582 |
| InChI Key: | YROXLUPTNNWJLG-UHFFFAOYSA-N |