2-(2-chlorophenyl)-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
2-(2-chlorophenyl)-6,6-dimethyl-9-(2-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-(2-chlorophenyl)-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: | 6069-0920 |
| Compound Name: | 2-(2-chlorophenyl)-6,6-dimethyl-9-(2-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 449.9 |
| Molecular Formula: | C23 H20 Cl N5 O3 |
| Smiles: | CC1(C)CC2=C(C(c3ccccc3[N+]([O-])=O)n3c(N2)nc(c2ccccc2[Cl])n3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9095 |
| logD: | 4.7735 |
| logSw: | -4.858 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.425 |
| InChI Key: | OOGZKDFCRIKQLE-FQEVSTJZSA-N |