N-(4-chlorophenyl)-9-(4-hydroxy-3-methoxyphenyl)-6,6-dimethyl-8-oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-9-(4-hydroxy-3-methoxyphenyl)-6,6-dimethyl-8-oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazoline-3-carboxamide
N-(4-chlorophenyl)-9-(4-hydroxy-3-methoxyphenyl)-6,6-dimethyl-8-oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazoline-3-carboxamide
Compound characteristics
Compound ID: | F453-0069 |
Compound Name: | N-(4-chlorophenyl)-9-(4-hydroxy-3-methoxyphenyl)-6,6-dimethyl-8-oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazoline-3-carboxamide |
Molecular Weight: | 492.96 |
Molecular Formula: | C26 H25 Cl N4 O4 |
Smiles: | CC1(C)CC2=C(C(c3ccc(c(c3)OC)O)n3c(c(cn3)C(Nc3ccc(cc3)[Cl])=O)N2)C(C1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.2164 |
logD: | 3.9684 |
logSw: | -4.5838 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 85 |
InChI Key: | SIGWTEVDKGSNLQ-QHCPKHFHSA-N |