1-{4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}-2-phenylethan-1-one
Chemical Structure Depiction of
1-{4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}-2-phenylethan-1-one
1-{4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}-2-phenylethan-1-one
Compound characteristics
Compound ID: | V023-9533 |
Compound Name: | 1-{4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}-2-phenylethan-1-one |
Molecular Weight: | 493.52 |
Molecular Formula: | C27 H23 N7 O3 |
Salt: | not_available |
Smiles: | C(C(N1CCN(CC1)c1nc2ccccc2c2nnc(c3ccccc3[N+]([O-])=O)n12)=O)c1ccccc1 |
Stereo: | ACHIRAL |
logP: | 3.9645 |
logD: | 3.9585 |
logSw: | -4.3424 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 82.002 |
InChI Key: | LBJOEZRCQVJIJF-UHFFFAOYSA-N |