methyl 2-[2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)butanamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)butanamido]benzoate
methyl 2-[2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)butanamido]benzoate
Compound characteristics
| Compound ID: | E005-0711 |
| Compound Name: | methyl 2-[2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)butanamido]benzoate |
| Molecular Weight: | 418.45 |
| Molecular Formula: | C23 H22 N4 O4 |
| Smiles: | CCC(C(Nc1ccccc1C(=O)OC)=O)N1c2ccccc2C2=NC(C=C(C)N12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1882 |
| logD: | 3.1646 |
| logSw: | -3.6559 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.176 |
| InChI Key: | BYEMORGDNWDQOO-SFHVURJKSA-N |