9-(3-hydroxyphenyl)-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(3-hydroxyphenyl)-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(3-hydroxyphenyl)-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | Y020-1206 |
| Compound Name: | 9-(3-hydroxyphenyl)-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 328.39 |
| Molecular Formula: | C16 H16 N4 O2 S |
| Smiles: | CSc1nc2NC3CCCC(C=3C(c3cccc(c3)O)n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6989 |
| logD: | 2.5927 |
| logSw: | -2.8902 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.955 |
| InChI Key: | UWOQAOWQOQFZCM-AWEZNQCLSA-N |