9-[4-(benzyloxy)-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
9-[4-(benzyloxy)-3-methoxyphenyl]-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-[4-(benzyloxy)-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: | 8019-5771 |
| Compound Name: | 9-[4-(benzyloxy)-3-methoxyphenyl]-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 430.51 |
| Molecular Formula: | C25 H26 N4 O3 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(c(c3)OC)OCc3ccccc3)n3c(N2)ncn3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.965 |
| logD: | 3.5924 |
| logSw: | -4.346 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.502 |
| InChI Key: | CPDAJYWNJVSGSL-QHCPKHFHSA-N |