N-[(3-bromophenyl)methyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)butanamide
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)butanamide
N-[(3-bromophenyl)methyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)butanamide
Compound characteristics
| Compound ID: | E005-0879 |
| Compound Name: | N-[(3-bromophenyl)methyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)butanamide |
| Molecular Weight: | 453.34 |
| Molecular Formula: | C22 H21 Br N4 O2 |
| Smiles: | CCC(C(NCc1cccc(c1)[Br])=O)N1c2ccccc2C2=NC(C=C(C)N12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5185 |
| logD: | 3.5185 |
| logSw: | -3.8529 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.022 |
| InChI Key: | VWQJJPNZFLQEAE-SFHVURJKSA-N |