6-[4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoyl]-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
Chemical Structure Depiction of
6-[4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoyl]-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
6-[4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoyl]-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
Compound characteristics
| Compound ID: | S021-2287 |
| Compound Name: | 6-[4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoyl]-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one |
| Molecular Weight: | 497.55 |
| Molecular Formula: | C28 H27 N5 O4 |
| Smiles: | Cc1ccc2c(c1)N(CCCC(N1CCC3=C(C1)N=C1C=C(c4ccccc4)NN1C3=O)=O)C(CO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8448 |
| logD: | 1.8447 |
| logSw: | -2.4109 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.346 |
| InChI Key: | RAAJNGDUTKOEJG-UHFFFAOYSA-N |