ethyl 1-[3-(4-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[3-(4-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperidine-3-carboxylate
ethyl 1-[3-(4-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V029-0095 |
| Compound Name: | ethyl 1-[3-(4-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperidine-3-carboxylate |
| Molecular Weight: | 446.46 |
| Molecular Formula: | C23 H22 N6 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C1CCCN(C1)c1nc2ccccc2c2nnc(c3ccc(cc3)[N+]([O-])=O)n12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2538 |
| logD: | 4.1927 |
| logSw: | -4.1155 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 87.062 |
| InChI Key: | QQFLCPIUMAIAON-INIZCTEOSA-N |