9-(4-chlorophenyl)-6,6-dimethyl-2-(4-nitrophenyl)-5,6,7,9-tetrahydropyrazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(4-chlorophenyl)-6,6-dimethyl-2-(4-nitrophenyl)-5,6,7,9-tetrahydropyrazolo[5,1-b]quinazolin-8(4H)-one
9-(4-chlorophenyl)-6,6-dimethyl-2-(4-nitrophenyl)-5,6,7,9-tetrahydropyrazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-4065 |
| Compound Name: | 9-(4-chlorophenyl)-6,6-dimethyl-2-(4-nitrophenyl)-5,6,7,9-tetrahydropyrazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 448.91 |
| Molecular Formula: | C24 H21 Cl N4 O3 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)[Cl])n3c(cc(c4ccc(cc4)[N+]([O-])=O)n3)N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.834 |
| logD: | 5.8334 |
| logSw: | -6.2122 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.093 |
| InChI Key: | OFBJWBOXZRGQKN-QHCPKHFHSA-N |