1-benzyl-7-[(3,4-dichlorophenyl)methyl]-3-(3-methoxyphenyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-benzyl-7-[(3,4-dichlorophenyl)methyl]-3-(3-methoxyphenyl)-3,7-dihydro-1H-purine-2,6-dione
1-benzyl-7-[(3,4-dichlorophenyl)methyl]-3-(3-methoxyphenyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V021-6035 |
| Compound Name: | 1-benzyl-7-[(3,4-dichlorophenyl)methyl]-3-(3-methoxyphenyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 507.38 |
| Molecular Formula: | C26 H20 Cl2 N4 O3 |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)N1C(N(Cc2ccccc2)C(c2c1ncn2Cc1ccc(c(c1)[Cl])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4338 |
| logD: | 5.4338 |
| logSw: | -5.9536 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.818 |
| InChI Key: | SLCMKALINLBOBJ-UHFFFAOYSA-N |