N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-amine
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-amine
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-amine
Compound characteristics
| Compound ID: | G702-4611 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-amine |
| Molecular Weight: | 399.45 |
| Molecular Formula: | C23 H21 N5 O2 |
| Smiles: | C1CCC2C(C1)=C(Nc1ccc3c(c1)OCCO3)n1c(N=2)nc(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9093 |
| logD: | 3.9081 |
| logSw: | -4.082 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.716 |
| InChI Key: | QMIJKMATPPDGHN-UHFFFAOYSA-N |