9-(3-chlorophenyl)-4-methyl-9,10-dihydropyrimido[4,5-c]isoquinoline-1,3,7(2H,4H,8H)-trione
Chemical Structure Depiction of
9-(3-chlorophenyl)-4-methyl-9,10-dihydropyrimido[4,5-c]isoquinoline-1,3,7(2H,4H,8H)-trione
9-(3-chlorophenyl)-4-methyl-9,10-dihydropyrimido[4,5-c]isoquinoline-1,3,7(2H,4H,8H)-trione
Compound characteristics
| Compound ID: | D718-1359 |
| Compound Name: | 9-(3-chlorophenyl)-4-methyl-9,10-dihydropyrimido[4,5-c]isoquinoline-1,3,7(2H,4H,8H)-trione |
| Molecular Weight: | 355.78 |
| Molecular Formula: | C18 H14 Cl N3 O3 |
| Smiles: | CN1C(NC(c2c3CC(CC(c3cnc12)=O)c1cccc(c1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1212 |
| logD: | 3.1081 |
| logSw: | -3.8492 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.573 |
| InChI Key: | HTAQGWFXIKYUBJ-JTQLQIEISA-N |