2-{[(2-chloro-6-fluorophenyl)methyl]amino}-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one
Chemical Structure Depiction of
2-{[(2-chloro-6-fluorophenyl)methyl]amino}-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one
2-{[(2-chloro-6-fluorophenyl)methyl]amino}-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one
Compound characteristics
| Compound ID: | D298-0255 |
| Compound Name: | 2-{[(2-chloro-6-fluorophenyl)methyl]amino}-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one |
| Molecular Weight: | 347.78 |
| Molecular Formula: | C16 H15 Cl F N5 O |
| Smiles: | C1CCC2=C(C1)C(n1c(N2)nc(NCc2c(cccc2[Cl])F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3152 |
| logD: | 3.2229 |
| logSw: | -3.7282 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.211 |
| InChI Key: | WQPDDBMFHUXHJU-UHFFFAOYSA-N |