1-cyclopropyl-3-(3-methylphenyl)-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-cyclopropyl-3-(3-methylphenyl)-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
1-cyclopropyl-3-(3-methylphenyl)-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V023-8466 |
| Compound Name: | 1-cyclopropyl-3-(3-methylphenyl)-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 440.42 |
| Molecular Formula: | C23 H19 F3 N4 O2 |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)N1C(N(C2CC2)C(c2c1ncn2Cc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0726 |
| logD: | 4.0726 |
| logSw: | -4.2215 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.827 |
| InChI Key: | SHEWYIRCLYSHEG-UHFFFAOYSA-N |