{4-[3-(2-chlorophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(2-methylphenyl)methanone
Chemical Structure Depiction of
{4-[3-(2-chlorophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(2-methylphenyl)methanone
{4-[3-(2-chlorophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(2-methylphenyl)methanone
Compound characteristics
| Compound ID: | V023-9823 |
| Compound Name: | {4-[3-(2-chlorophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(2-methylphenyl)methanone |
| Molecular Weight: | 497 |
| Molecular Formula: | C28 H25 Cl N6 O |
| Salt: | not_available |
| Smiles: | Cc1ccccc1C(N1CCCN(CC1)c1nc2ccccc2c2nnc(c3ccccc3[Cl])n12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.198 |
| logD: | 5.1329 |
| logSw: | -5.4089 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.78 |
| InChI Key: | MZQATGVPWXTDBU-UHFFFAOYSA-N |