4-{3-[(4-chlorophenyl)carbamoyl]-6,6-dimethyl-8-oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazolin-9-yl}benzoic acid
Chemical Structure Depiction of
4-{3-[(4-chlorophenyl)carbamoyl]-6,6-dimethyl-8-oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazolin-9-yl}benzoic acid
4-{3-[(4-chlorophenyl)carbamoyl]-6,6-dimethyl-8-oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazolin-9-yl}benzoic acid
Compound characteristics
| Compound ID: | F453-0058 |
| Compound Name: | 4-{3-[(4-chlorophenyl)carbamoyl]-6,6-dimethyl-8-oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazolin-9-yl}benzoic acid |
| Molecular Weight: | 490.95 |
| Molecular Formula: | C26 H23 Cl N4 O4 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)C(O)=O)n3c(c(cn3)C(Nc3ccc(cc3)[Cl])=O)N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8189 |
| logD: | 1.8474 |
| logSw: | -4.7545 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.23 |
| InChI Key: | NOAMQOJERUBRSF-QFIPXVFZSA-N |