9-(4-bromophenyl)-1-methyl-3-(2-oxo-2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
9-(4-bromophenyl)-1-methyl-3-(2-oxo-2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
9-(4-bromophenyl)-1-methyl-3-(2-oxo-2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0690 |
| Compound Name: | 9-(4-bromophenyl)-1-methyl-3-(2-oxo-2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 494.35 |
| Molecular Formula: | C23 H20 Br N5 O3 |
| Smiles: | CN1C(N(CC(c2ccccc2)=O)C(c2c1nc1N(CCCn12)c1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0299 |
| logD: | 4.0295 |
| logSw: | -4.0709 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.03 |
| InChI Key: | OLJDXQWJSPZDGL-UHFFFAOYSA-N |