7-benzyl-3-(4-chlorophenyl)-1-ethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-benzyl-3-(4-chlorophenyl)-1-ethyl-3,7-dihydro-1H-purine-2,6-dione
7-benzyl-3-(4-chlorophenyl)-1-ethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V010-6404 |
| Compound Name: | 7-benzyl-3-(4-chlorophenyl)-1-ethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 380.83 |
| Molecular Formula: | C20 H17 Cl N4 O2 |
| Salt: | not_available |
| Smiles: | CCN1C(c2c(ncn2Cc2ccccc2)N(C1=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2745 |
| logD: | 3.2745 |
| logSw: | -3.3924 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.271 |
| InChI Key: | CTFJSYWATDKUNI-UHFFFAOYSA-N |