3-{4-[3-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-carbonyl}benzonitrile
Chemical Structure Depiction of
3-{4-[3-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-carbonyl}benzonitrile
3-{4-[3-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | V021-6182 |
| Compound Name: | 3-{4-[3-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-carbonyl}benzonitrile |
| Molecular Weight: | 487.56 |
| Molecular Formula: | C29 H25 N7 O |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)c1nnc2c3ccccc3nc(N3CCCN(CC3)C(c3cccc(C#N)c3)=O)n12 |
| Stereo: | ACHIRAL |
| logP: | 4.5363 |
| logD: | 4.4752 |
| logSw: | -4.4157 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 66.837 |
| InChI Key: | RKRAODKMMOJALE-UHFFFAOYSA-N |