9-(3-chlorophenyl)-3-[(2-phenylethyl)amino]-9,10-dihydropyrimido[4,5-c]isoquinoline-1,7(2H,8H)-dione
Chemical Structure Depiction of
9-(3-chlorophenyl)-3-[(2-phenylethyl)amino]-9,10-dihydropyrimido[4,5-c]isoquinoline-1,7(2H,8H)-dione
9-(3-chlorophenyl)-3-[(2-phenylethyl)amino]-9,10-dihydropyrimido[4,5-c]isoquinoline-1,7(2H,8H)-dione
Compound characteristics
| Compound ID: | Y020-3733 |
| Compound Name: | 9-(3-chlorophenyl)-3-[(2-phenylethyl)amino]-9,10-dihydropyrimido[4,5-c]isoquinoline-1,7(2H,8H)-dione |
| Molecular Weight: | 444.92 |
| Molecular Formula: | C25 H21 Cl N4 O2 |
| Smiles: | C(CNC1NC(c2c3CC(CC(c3cnc2N=1)=O)c1cccc(c1)[Cl])=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5487 |
| logD: | 4.4257 |
| logSw: | -4.9252 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.331 |
| InChI Key: | BKNIAFXHJQSKQF-KRWDZBQOSA-N |