N-(2-chloro-4-fluorophenyl)-3-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-amine
Chemical Structure Depiction of
N-(2-chloro-4-fluorophenyl)-3-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-amine
N-(2-chloro-4-fluorophenyl)-3-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-amine
Compound characteristics
| Compound ID: | E881-0114 |
| Compound Name: | N-(2-chloro-4-fluorophenyl)-3-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-amine |
| Molecular Weight: | 327.75 |
| Molecular Formula: | C16 H11 Cl F N5 |
| Smiles: | Cc1nnc2c3ccccc3nc(Nc3ccc(cc3[Cl])F)n12 |
| Stereo: | ACHIRAL |
| logP: | 3.6856 |
| logD: | 3.5339 |
| logSw: | -3.9846 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.171 |
| InChI Key: | FZERNKAIDGCVMH-UHFFFAOYSA-N |