{4-[3-(2-chlorophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(3-fluorophenyl)methanone
Chemical Structure Depiction of
{4-[3-(2-chlorophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(3-fluorophenyl)methanone
{4-[3-(2-chlorophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(3-fluorophenyl)methanone
Compound characteristics
| Compound ID: | V023-9751 |
| Compound Name: | {4-[3-(2-chlorophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(3-fluorophenyl)methanone |
| Molecular Weight: | 500.96 |
| Molecular Formula: | C27 H22 Cl F N6 O |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1nc2ccccc2c2nnc(c3ccccc3[Cl])n12)C(c1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8461 |
| logD: | 4.781 |
| logSw: | -4.9079 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.78 |
| InChI Key: | GCCFUQBYFBLUJU-UHFFFAOYSA-N |