6,6-dimethyl-9-(2-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
6,6-dimethyl-9-(2-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
6,6-dimethyl-9-(2-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | K832-3283 |
| Compound Name: | 6,6-dimethyl-9-(2-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 339.35 |
| Molecular Formula: | C17 H17 N5 O3 |
| Smiles: | CC1(C)CC2=C(C(c3ccccc3[N+]([O-])=O)n3c(N2)ncn3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.58 |
| logD: | 2.2074 |
| logSw: | -3.0678 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.638 |
| InChI Key: | HSJGGAYRQSYATN-HNNXBMFYSA-N |