9-(4-ethoxy-3-methoxyphenyl)-2-({[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]methyl}sulfanyl)-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)-2-({[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]methyl}sulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(4-ethoxy-3-methoxyphenyl)-2-({[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]methyl}sulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-1227 |
| Compound Name: | 9-(4-ethoxy-3-methoxyphenyl)-2-({[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]methyl}sulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 605.72 |
| Molecular Formula: | C34 H31 N5 O4 S |
| Smiles: | CCOc1ccc(cc1OC)C1C2=C(CCCC2=O)Nc2nc(nn12)SCc1ccc(cc1)c1ncc(c2ccccc2)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5216 |
| logD: | 6.4597 |
| logSw: | -5.5193 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.359 |
| InChI Key: | LKGVOKWIBACIHT-HKBQPEDESA-N |