7-[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[4,3-d]pyrimidin-9(1H)-one
Chemical Structure Depiction of
7-[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[4,3-d]pyrimidin-9(1H)-one
7-[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[4,3-d]pyrimidin-9(1H)-one
Compound characteristics
| Compound ID: | S022-1725 |
| Compound Name: | 7-[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[4,3-d]pyrimidin-9(1H)-one |
| Molecular Weight: | 497.55 |
| Molecular Formula: | C28 H27 N5 O4 |
| Smiles: | Cc1ccc2c(c1)N(CCCC(N1CCC3=C(C1)C(N1C(C=C(c4ccccc4)N1)=N3)=O)=O)C(CO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7444 |
| logD: | 1.7442 |
| logSw: | -2.4054 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.346 |
| InChI Key: | KLSMURULIBBVDJ-UHFFFAOYSA-N |