3-[(4-bromo-2-fluorophenyl)methyl]-7-(4-methoxyphenyl)-1-methylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-[(4-bromo-2-fluorophenyl)methyl]-7-(4-methoxyphenyl)-1-methylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
3-[(4-bromo-2-fluorophenyl)methyl]-7-(4-methoxyphenyl)-1-methylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
Compound ID: | L559-0787 |
Compound Name: | 3-[(4-bromo-2-fluorophenyl)methyl]-7-(4-methoxyphenyl)-1-methylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
Molecular Weight: | 471.28 |
Molecular Formula: | C21 H16 Br F N4 O3 |
Smiles: | CN1C(N(Cc2ccc(cc2F)[Br])C(c2cnc(c3ccc(cc3)OC)nc12)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.7111 |
logD: | 4.7111 |
logSw: | -4.402 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 58.952 |
InChI Key: | BJOWLDPPJRRVIO-UHFFFAOYSA-N |