9-(4-methoxyphenyl)-7-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]pyrido[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-8(7H)-one
Chemical Structure Depiction of
9-(4-methoxyphenyl)-7-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]pyrido[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-8(7H)-one
9-(4-methoxyphenyl)-7-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]pyrido[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-8(7H)-one
Compound characteristics
| Compound ID: | Y020-8912 |
| Compound Name: | 9-(4-methoxyphenyl)-7-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]pyrido[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-8(7H)-one |
| Molecular Weight: | 406.42 |
| Molecular Formula: | C18 H14 N8 O2 S |
| Smiles: | COc1ccc(cc1)C1=C2C(C=CN(C2=O)c2nc(n[nH]2)SC)=Nc2ncnn12 |
| Stereo: | ACHIRAL |
| logP: | 1.9952 |
| logD: | 1.9899 |
| logSw: | -2.4525 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.883 |
| InChI Key: | VHIOMMNWXBDPOE-UHFFFAOYSA-N |