6-(2H-1,3-benzodioxole-5-carbonyl)-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
Chemical Structure Depiction of
6-(2H-1,3-benzodioxole-5-carbonyl)-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
6-(2H-1,3-benzodioxole-5-carbonyl)-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
Compound characteristics
| Compound ID: | S021-0960 |
| Compound Name: | 6-(2H-1,3-benzodioxole-5-carbonyl)-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one |
| Molecular Weight: | 414.42 |
| Molecular Formula: | C23 H18 N4 O4 |
| Smiles: | C1CN(CC2=C1C(N1C(C=C(c3ccccc3)N1)=N2)=O)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0153 |
| logD: | 2.0152 |
| logSw: | -2.8375 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.909 |
| InChI Key: | GNSFIGPSTZRBHC-UHFFFAOYSA-N |