7-[(2-chlorophenyl)methyl]-3-(2-methoxyphenyl)-1-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chlorophenyl)methyl]-3-(2-methoxyphenyl)-1-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chlorophenyl)methyl]-3-(2-methoxyphenyl)-1-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | V018-2032 |
Compound Name: | 7-[(2-chlorophenyl)methyl]-3-(2-methoxyphenyl)-1-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 424.89 |
Molecular Formula: | C22 H21 Cl N4 O3 |
Smiles: | CC(C)N1C(c2c(ncn2Cc2ccccc2[Cl])N(C1=O)c1ccccc1OC)=O |
Stereo: | ACHIRAL |
logP: | 3.5456 |
logD: | 3.5456 |
logSw: | -3.5745 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 49.596 |
InChI Key: | OCRMTXGHBIVQRK-UHFFFAOYSA-N |