2-(ethylsulfanyl)-9-(4-hydroxy-3-methoxyphenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-(ethylsulfanyl)-9-(4-hydroxy-3-methoxyphenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-(ethylsulfanyl)-9-(4-hydroxy-3-methoxyphenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | Y020-1268 |
| Compound Name: | 2-(ethylsulfanyl)-9-(4-hydroxy-3-methoxyphenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C20 H24 N4 O3 S |
| Smiles: | CCSc1nc2NC3CC(C)(C)CC(C=3C(c3ccc(c(c3)OC)O)n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3876 |
| logD: | 3.1616 |
| logSw: | -3.4824 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.517 |
| InChI Key: | VRLTVXOZZQCPHM-KRWDZBQOSA-N |