6-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4-methylpyrimido[1,2-b]indazol-2(6H)-one
Chemical Structure Depiction of
6-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4-methylpyrimido[1,2-b]indazol-2(6H)-one
6-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4-methylpyrimido[1,2-b]indazol-2(6H)-one
Compound characteristics
| Compound ID: | E005-0022 |
| Compound Name: | 6-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4-methylpyrimido[1,2-b]indazol-2(6H)-one |
| Molecular Weight: | 372.43 |
| Molecular Formula: | C22 H20 N4 O2 |
| Smiles: | CC1=CC(N=C2c3ccccc3N(CC(N3CCc4ccccc4C3)=O)N12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1375 |
| logD: | 2.1375 |
| logSw: | -2.8552 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.693 |
| InChI Key: | SMSSAUNXTCCBSV-UHFFFAOYSA-N |