N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)butanamide
Compound characteristics
| Compound ID: | E005-0715 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)butanamide |
| Molecular Weight: | 418.45 |
| Molecular Formula: | C23 H22 N4 O4 |
| Smiles: | CCC(C(NCc1ccc2c(c1)OCO2)=O)N1c2ccccc2C2=NC(C=C(C)N12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6787 |
| logD: | 2.6787 |
| logSw: | -3.4206 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.137 |
| InChI Key: | IQGIJNULBKBMOG-KRWDZBQOSA-N |