N-[(3-bromophenyl)methyl]-2-(8,9-dimethoxy-4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)acetamide
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-2-(8,9-dimethoxy-4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)acetamide
N-[(3-bromophenyl)methyl]-2-(8,9-dimethoxy-4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)acetamide
Compound characteristics
| Compound ID: | E005-1147 |
| Compound Name: | N-[(3-bromophenyl)methyl]-2-(8,9-dimethoxy-4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)acetamide |
| Molecular Weight: | 485.34 |
| Molecular Formula: | C22 H21 Br N4 O4 |
| Smiles: | CC1=CC(N=C2c3cc(c(cc3N(CC(NCc3cccc(c3)[Br])=O)N12)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5651 |
| logD: | 2.5651 |
| logSw: | -3.0143 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.371 |
| InChI Key: | XHMXTKFWHBUWIG-UHFFFAOYSA-N |