N-(3-chloro-2-methylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)butanamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)butanamide
N-(3-chloro-2-methylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)butanamide
Compound characteristics
| Compound ID: | E005-0718 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)butanamide |
| Molecular Weight: | 408.89 |
| Molecular Formula: | C22 H21 Cl N4 O2 |
| Smiles: | CCC(C(Nc1cccc(c1C)[Cl])=O)N1c2ccccc2C2=NC(C=C(C)N12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.271 |
| logD: | 4.2706 |
| logSw: | -4.4514 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.002 |
| InChI Key: | QUTWUPSZOJBCCA-SFHVURJKSA-N |