7-[2-(4-chlorophenyl)-2-oxoethyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[2-(4-chlorophenyl)-2-oxoethyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-3,7-dihydro-1H-purine-2,6-dione
7-[2-(4-chlorophenyl)-2-oxoethyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V028-8231 |
| Compound Name: | 7-[2-(4-chlorophenyl)-2-oxoethyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 452.87 |
| Molecular Formula: | C23 H18 Cl F N4 O3 |
| Smiles: | C1CC1CN1C(c2c(ncn2CC(c2ccc(cc2)[Cl])=O)N(C1=O)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3274 |
| logD: | 3.3274 |
| logSw: | -3.7846 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.045 |
| InChI Key: | ZWCCMFRLIKYDKH-UHFFFAOYSA-N |