2-methyl-1-{4-[3-(4-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}propan-1-one
Chemical Structure Depiction of
2-methyl-1-{4-[3-(4-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}propan-1-one
2-methyl-1-{4-[3-(4-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}propan-1-one
Compound characteristics
| Compound ID: | V019-6037 |
| Compound Name: | 2-methyl-1-{4-[3-(4-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}propan-1-one |
| Molecular Weight: | 445.48 |
| Molecular Formula: | C23 H23 N7 O3 |
| Salt: | not_available |
| Smiles: | CC(C)C(N1CCN(CC1)c1nc2ccccc2c2nnc(c3ccc(cc3)[N+]([O-])=O)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8844 |
| logD: | 3.8233 |
| logSw: | -4.0224 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 83.102 |
| InChI Key: | OCKRLCYSLUTAMK-UHFFFAOYSA-N |