3-{2-methyl-4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazine-1-carbonyl}benzonitrile
Chemical Structure Depiction of
3-{2-methyl-4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazine-1-carbonyl}benzonitrile
3-{2-methyl-4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazine-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | V023-9504 |
| Compound Name: | 3-{2-methyl-4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazine-1-carbonyl}benzonitrile |
| Molecular Weight: | 518.53 |
| Molecular Formula: | C28 H22 N8 O3 |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(c1cccc(C#N)c1)=O)c1nc2ccccc2c2nnc(c3ccccc3[N+]([O-])=O)n12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7286 |
| logD: | 3.7226 |
| logSw: | -4.1453 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 98.804 |
| InChI Key: | AUTRODLWGWLNCJ-SFHVURJKSA-N |