3,3-dimethyl-1-{4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}butan-1-one
Chemical Structure Depiction of
3,3-dimethyl-1-{4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}butan-1-one
3,3-dimethyl-1-{4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}butan-1-one
Compound characteristics
| Compound ID: | V023-9511 |
| Compound Name: | 3,3-dimethyl-1-{4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}butan-1-one |
| Molecular Weight: | 473.53 |
| Molecular Formula: | C25 H27 N7 O3 |
| Salt: | not_available |
| Smiles: | CC(C)(C)CC(N1CCN(CC1)c1nc2ccccc2c2nnc(c3ccccc3[N+]([O-])=O)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1619 |
| logD: | 4.1559 |
| logSw: | -4.3456 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.274 |
| InChI Key: | WCYXDXDKEHTTLU-UHFFFAOYSA-N |