2-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-amine
Chemical Structure Depiction of
2-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-amine
2-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-amine
Compound characteristics
| Compound ID: | C301-9518 |
| Compound Name: | 2-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-amine |
| Molecular Weight: | 407.88 |
| Molecular Formula: | C22 H19 Cl F N5 |
| Smiles: | C1CCC2C(C1)=C(Nc1cccc(c1)F)n1c(N=2)nc(Cc2ccc(cc2)[Cl])n1 |
| Stereo: | ACHIRAL |
| logP: | 5.4852 |
| logD: | 5.4852 |
| logSw: | -6.1173 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.883 |
| InChI Key: | ZRGDUPABMPWBII-UHFFFAOYSA-N |