7-benzyl-1-[(3-chlorophenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-benzyl-1-[(3-chlorophenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
7-benzyl-1-[(3-chlorophenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8012-0218 |
| Compound Name: | 7-benzyl-1-[(3-chlorophenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 380.83 |
| Molecular Formula: | C20 H17 Cl N4 O2 |
| Smiles: | CN1C(N(Cc2cccc(c2)[Cl])C(c2c1ncn2Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3537 |
| logD: | 3.3537 |
| logSw: | -3.4532 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.923 |
| InChI Key: | AMVYIWDUIZXASU-UHFFFAOYSA-N |