7-({[5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-({[5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
7-({[5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G072-1795 |
| Compound Name: | 7-({[5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 431.54 |
| Molecular Formula: | C22 H17 N5 O S2 |
| Smiles: | Cc1cccc(c1)c1nnc([nH]1)SCC1=CC(N2C(=CSC2=N1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9568 |
| logD: | 2.9048 |
| logSw: | -3.9893 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.231 |
| InChI Key: | XDMUWCJTPIQSFS-UHFFFAOYSA-N |