methyl 4-[(2-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(2-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl)amino]benzoate
methyl 4-[(2-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl)amino]benzoate
Compound characteristics
| Compound ID: | G702-4471 |
| Compound Name: | methyl 4-[(2-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl)amino]benzoate |
| Molecular Weight: | 399.45 |
| Molecular Formula: | C23 H21 N5 O2 |
| Smiles: | COC(c1ccc(cc1)NC1=C2CCCCC2=Nc2nc(c3ccccc3)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0275 |
| logD: | 5.0262 |
| logSw: | -4.6652 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.067 |
| InChI Key: | DFCUXYRQSXMJEP-UHFFFAOYSA-N |