3-(3-fluorophenyl)-1-(2-methoxyethyl)-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(3-fluorophenyl)-1-(2-methoxyethyl)-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
3-(3-fluorophenyl)-1-(2-methoxyethyl)-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V016-7111 |
| Compound Name: | 3-(3-fluorophenyl)-1-(2-methoxyethyl)-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 408.43 |
| Molecular Formula: | C22 H21 F N4 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cn2cnc3c2C(N(CCOC)C(N3c2cccc(c2)F)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7256 |
| logD: | 2.7256 |
| logSw: | -2.7624 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.867 |
| InChI Key: | WHWJWVMSEXZUKX-UHFFFAOYSA-N |