9-(4-ethoxy-3-methoxyphenyl)-6,6-dimethyl-2-(pentylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(4-ethoxy-3-methoxyphenyl)-6,6-dimethyl-2-(pentylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(4-ethoxy-3-methoxyphenyl)-6,6-dimethyl-2-(pentylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-3044 |
| Compound Name: | 9-(4-ethoxy-3-methoxyphenyl)-6,6-dimethyl-2-(pentylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 470.63 |
| Molecular Formula: | C25 H34 N4 O3 S |
| Smiles: | CCCCCSc1nc2NC3CC(C)(C)CC(C=3C(c3ccc(c(c3)OC)OCC)n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8481 |
| logD: | 5.6221 |
| logSw: | -5.2229 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.179 |
| InChI Key: | IBIOSLSFHKUIHH-QFIPXVFZSA-N |