3-[(2-chloro-4-fluorophenyl)methyl]-7-(4-methoxyphenyl)-1-methylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-[(2-chloro-4-fluorophenyl)methyl]-7-(4-methoxyphenyl)-1-methylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
3-[(2-chloro-4-fluorophenyl)methyl]-7-(4-methoxyphenyl)-1-methylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | L559-0786 |
| Compound Name: | 3-[(2-chloro-4-fluorophenyl)methyl]-7-(4-methoxyphenyl)-1-methylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 426.83 |
| Molecular Formula: | C21 H16 Cl F N4 O3 |
| Smiles: | CN1C(N(Cc2ccc(cc2[Cl])F)C(c2cnc(c3ccc(cc3)OC)nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4914 |
| logD: | 4.4914 |
| logSw: | -4.5382 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.952 |
| InChI Key: | GZXZZJYWOAOMDQ-UHFFFAOYSA-N |