7-[(3-chlorophenyl)methyl]-1-ethyl-3-(3-methoxyphenyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3-chlorophenyl)methyl]-1-ethyl-3-(3-methoxyphenyl)-3,7-dihydro-1H-purine-2,6-dione
7-[(3-chlorophenyl)methyl]-1-ethyl-3-(3-methoxyphenyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V029-5391 |
| Compound Name: | 7-[(3-chlorophenyl)methyl]-1-ethyl-3-(3-methoxyphenyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 410.86 |
| Molecular Formula: | C21 H19 Cl N4 O3 |
| Salt: | not_available |
| Smiles: | CCN1C(c2c(ncn2Cc2cccc(c2)[Cl])N(C1=O)c1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4991 |
| logD: | 3.4991 |
| logSw: | -3.5905 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.814 |
| InChI Key: | OUBDECYDCKVMPB-UHFFFAOYSA-N |