3-(3-chlorophenyl)-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(3-chlorophenyl)-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
3-(3-chlorophenyl)-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V024-0000 |
| Compound Name: | 3-(3-chlorophenyl)-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 480.95 |
| Molecular Formula: | C25 H25 Cl N4 O4 |
| Salt: | not_available |
| Smiles: | CC(C)CCN1C(c2c(ncn2CC(c2cccc(c2)OC)=O)N(C1=O)c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4208 |
| logD: | 4.4208 |
| logSw: | -4.5074 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.315 |
| InChI Key: | ORIJAQFTNBTNRT-UHFFFAOYSA-N |