2-methoxy-1-{4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-methoxy-1-{4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}ethan-1-one
2-methoxy-1-{4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V028-5609 |
| Compound Name: | 2-methoxy-1-{4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 447.45 |
| Molecular Formula: | C22 H21 N7 O4 |
| Salt: | not_available |
| Smiles: | COCC(N1CCN(CC1)c1nc2ccccc2c2nnc(c3ccccc3[N+]([O-])=O)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8505 |
| logD: | 1.8445 |
| logSw: | -2.4037 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 90.698 |
| InChI Key: | UEBSNYMLYTVYMJ-UHFFFAOYSA-N |