2-({[4-(benzyloxy)phenyl]methyl}amino)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one
Chemical Structure Depiction of
2-({[4-(benzyloxy)phenyl]methyl}amino)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one
2-({[4-(benzyloxy)phenyl]methyl}amino)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one
Compound characteristics
| Compound ID: | D298-0249 |
| Compound Name: | 2-({[4-(benzyloxy)phenyl]methyl}amino)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one |
| Molecular Weight: | 401.47 |
| Molecular Formula: | C23 H23 N5 O2 |
| Smiles: | C1CCC2=C(C1)C(n1c(N2)nc(NCc2ccc(cc2)OCc2ccccc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.831 |
| logD: | 3.7386 |
| logSw: | -4.0777 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.439 |
| InChI Key: | IYEKYEKXKQLXLW-UHFFFAOYSA-N |