1-{2-methyl-4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}-2-phenylbutan-1-one
Chemical Structure Depiction of
1-{2-methyl-4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}-2-phenylbutan-1-one
1-{2-methyl-4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}-2-phenylbutan-1-one
Compound characteristics
| Compound ID: | V023-9496 |
| Compound Name: | 1-{2-methyl-4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}-2-phenylbutan-1-one |
| Molecular Weight: | 535.61 |
| Molecular Formula: | C30 H29 N7 O3 |
| Salt: | not_available |
| Smiles: | CCC(C(N1CCN(CC1C)c1nc2ccccc2c2nnc(c3ccccc3[N+]([O-])=O)n12)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1443 |
| logD: | 5.1384 |
| logSw: | -5.2608 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.748 |
| InChI Key: | XWKOADJTDKGCLV-UHFFFAOYSA-N |