7-[(4-tert-butylphenyl)methyl]-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-tert-butylphenyl)methyl]-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(4-tert-butylphenyl)methyl]-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8010-8704 |
| Compound Name: | 7-[(4-tert-butylphenyl)methyl]-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 360.84 |
| Molecular Formula: | C18 H21 Cl N4 O2 |
| Smiles: | CC(C)(C)c1ccc(Cn2c3C(N(C)C(N(C)c3nc2[Cl])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4892 |
| logD: | 4.4892 |
| logSw: | -4.5493 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.924 |
| InChI Key: | WILUNPHUPAIMRG-UHFFFAOYSA-N |