7-[2-(2-chlorophenyl)-2-oxoethyl]-1-(3-methylbutyl)-3-(4-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[2-(2-chlorophenyl)-2-oxoethyl]-1-(3-methylbutyl)-3-(4-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione
7-[2-(2-chlorophenyl)-2-oxoethyl]-1-(3-methylbutyl)-3-(4-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V023-8067 |
| Compound Name: | 7-[2-(2-chlorophenyl)-2-oxoethyl]-1-(3-methylbutyl)-3-(4-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 464.95 |
| Molecular Formula: | C25 H25 Cl N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)CCN1C(c2c(ncn2CC(c2ccccc2[Cl])=O)N(C1=O)c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4767 |
| logD: | 4.4767 |
| logSw: | -4.4436 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.771 |
| InChI Key: | CSTUPMKOPPZNPL-UHFFFAOYSA-N |