7-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
7-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G072-0426 |
| Compound Name: | 7-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 307.39 |
| Molecular Formula: | C12 H13 N5 O S2 |
| Smiles: | CCc1nnc([nH]1)SCC1=CC(N2C=C(C)SC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8652 |
| logD: | 0.5358 |
| logSw: | -1.6997 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.21 |
| InChI Key: | NMQMYWCWHLJHGR-UHFFFAOYSA-N |