7-benzyl-3-(2-chlorophenyl)-1-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-benzyl-3-(2-chlorophenyl)-1-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
7-benzyl-3-(2-chlorophenyl)-1-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V024-0200 |
| Compound Name: | 7-benzyl-3-(2-chlorophenyl)-1-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 422.91 |
| Molecular Formula: | C23 H23 Cl N4 O2 |
| Salt: | not_available |
| Smiles: | CC(C)CCN1C(c2c(ncn2Cc2ccccc2)N(C1=O)c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4729 |
| logD: | 4.4729 |
| logSw: | -4.2983 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.223 |
| InChI Key: | DARHEHLXGMUKJC-UHFFFAOYSA-N |