7-{[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
7-{[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G072-0343 |
| Compound Name: | 7-{[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 280.33 |
| Molecular Formula: | C9 H8 N6 O S2 |
| Smiles: | C(C1=CC(N2C=CSC2=N1)=O)Sc1nnc(N)[nH]1 |
| Stereo: | ACHIRAL |
| logP: | -0.9688 |
| logD: | -1.097 |
| logSw: | -1.2666 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.167 |
| InChI Key: | WAYBXDWQUNAETF-UHFFFAOYSA-N |