2-{[(2-methylphenyl)methyl]amino}-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one
Chemical Structure Depiction of
2-{[(2-methylphenyl)methyl]amino}-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one
2-{[(2-methylphenyl)methyl]amino}-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one
Compound characteristics
| Compound ID: | D298-0250 |
| Compound Name: | 2-{[(2-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: | Cc1ccccc1CNc1nc2NC3CCCCC=3C(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3046 |
| logD: | 3.2122 |
| logSw: | -3.3479 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.211 |
| InChI Key: | XNDOWZCZBFCSLC-UHFFFAOYSA-N |