7-[(4-tert-butylphenyl)methyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-tert-butylphenyl)methyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-3,7-dihydro-1H-purine-2,6-dione
7-[(4-tert-butylphenyl)methyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V024-1834 |
| Compound Name: | 7-[(4-tert-butylphenyl)methyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 446.52 |
| Molecular Formula: | C26 H27 F N4 O2 |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(Cn2cnc3c2C(N(CC2CC2)C(N3c2ccc(cc2)F)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0275 |
| logD: | 5.0275 |
| logSw: | -4.6165 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.798 |
| InChI Key: | IYYWRIVNJLOJQK-UHFFFAOYSA-N |