2-(2-chlorophenyl)-4-{[(3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Chemical Structure Depiction of
2-(2-chlorophenyl)-4-{[(3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
2-(2-chlorophenyl)-4-{[(3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Compound characteristics
| Compound ID: | G199-0509 |
| Compound Name: | 2-(2-chlorophenyl)-4-{[(3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one |
| Molecular Weight: | 456.93 |
| Molecular Formula: | C19 H13 Cl N6 O2 S2 |
| Smiles: | CC1=CSC2=NC(CSC3=NC(c4ccccc4[Cl])=NC4=CC(NN34)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4897 |
| logD: | 2.4897 |
| logSw: | -3.4331 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.553 |
| InChI Key: | UMDHBRCDSXCZEJ-UHFFFAOYSA-N |