N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)acetamide
Compound characteristics
| Compound ID: | E005-0117 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)acetamide |
| Molecular Weight: | 390.4 |
| Molecular Formula: | C21 H18 N4 O4 |
| Smiles: | CC1=CC(N=C2c3ccccc3N(CC(NCc3ccc4c(c3)OCO4)=O)N12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7211 |
| logD: | 1.7211 |
| logSw: | -2.8339 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.225 |
| InChI Key: | CMAMSCWWHJOLBU-UHFFFAOYSA-N |