9-(3,4-dimethoxyphenyl)-2-(hexylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(3,4-dimethoxyphenyl)-2-(hexylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(3,4-dimethoxyphenyl)-2-(hexylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-2252 |
| Compound Name: | 9-(3,4-dimethoxyphenyl)-2-(hexylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 442.58 |
| Molecular Formula: | C23 H30 N4 O3 S |
| Smiles: | CCCCCCSc1nc2NC3CCCC(C=3C(c3ccc(c(c3)OC)OC)n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3929 |
| logD: | 5.2866 |
| logSw: | -5.2676 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.599 |
| InChI Key: | FPVNKKNMUQXYSN-NRFANRHFSA-N |