2-{[(3-methylphenyl)methyl]amino}-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one
Chemical Structure Depiction of
2-{[(3-methylphenyl)methyl]amino}-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one
2-{[(3-methylphenyl)methyl]amino}-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one
Compound characteristics
| Compound ID: | D298-0256 |
| Compound Name: | 2-{[(3-methylphenyl)methyl]amino}-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one |
| Molecular Weight: | 309.37 |
| Molecular Formula: | C17 H19 N5 O |
| Smiles: | Cc1cccc(CNc2nc3NC4CCCCC=4C(n3n2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.1051 |
| logD: | 3.0128 |
| logSw: | -3.1548 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.211 |
| InChI Key: | UOQYYLGHNFTUCL-UHFFFAOYSA-N |