1-cyclopentyl-3-(3-methoxyphenyl)-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-cyclopentyl-3-(3-methoxyphenyl)-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
1-cyclopentyl-3-(3-methoxyphenyl)-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V024-7691 |
| Compound Name: | 1-cyclopentyl-3-(3-methoxyphenyl)-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 484.48 |
| Molecular Formula: | C25 H23 F3 N4 O3 |
| Smiles: | COc1cccc(c1)N1C(N(C2CCCC2)C(c2c1ncn2Cc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3174 |
| logD: | 4.3174 |
| logSw: | -4.5253 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.406 |
| InChI Key: | SNMCGPMRQQTUTJ-UHFFFAOYSA-N |