6-(2-chloro-5-fluorobenzoyl)-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
Chemical Structure Depiction of
6-(2-chloro-5-fluorobenzoyl)-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
6-(2-chloro-5-fluorobenzoyl)-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
Compound characteristics
| Compound ID: | S021-0967 |
| Compound Name: | 6-(2-chloro-5-fluorobenzoyl)-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one |
| Molecular Weight: | 422.84 |
| Molecular Formula: | C22 H16 Cl F N4 O2 |
| Smiles: | C1CN(CC2=C1C(N1C(C=C(c3ccccc3)N1)=N2)=O)C(c1cc(ccc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0776 |
| logD: | 3.0775 |
| logSw: | -3.8131 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.794 |
| InChI Key: | QUMLLWMCOAIDRT-UHFFFAOYSA-N |