1-{4-[3-(2-chlorophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-phenylethan-1-one
Chemical Structure Depiction of
1-{4-[3-(2-chlorophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-phenylethan-1-one
1-{4-[3-(2-chlorophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-phenylethan-1-one
Compound characteristics
| Compound ID: | V023-9799 |
| Compound Name: | 1-{4-[3-(2-chlorophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-phenylethan-1-one |
| Molecular Weight: | 497 |
| Molecular Formula: | C28 H25 Cl N6 O |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1nc2ccccc2c2nnc(c3ccccc3[Cl])n12)C(Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0868 |
| logD: | 5.0257 |
| logSw: | -5.2368 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.253 |
| InChI Key: | NQRNGEXNBDSRBJ-UHFFFAOYSA-N |