7-(2-cyclohexylethyl)-1-[(furan-2-yl)methyl]-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
7-(2-cyclohexylethyl)-1-[(furan-2-yl)methyl]-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
7-(2-cyclohexylethyl)-1-[(furan-2-yl)methyl]-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | 6165-0039 |
| Compound Name: | 7-(2-cyclohexylethyl)-1-[(furan-2-yl)methyl]-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 492.42 |
| Molecular Formula: | C21 H22 F6 N4 O3 |
| Smiles: | C1CCC(CC1)CCC1NC2=C(C(NC(N2Cc2ccco2)=O)=O)C(C(F)(F)F)(C(F)(F)F)N=1 |
| Stereo: | ACHIRAL |
| logP: | 5.072 |
| logD: | 5.0719 |
| logSw: | -4.7866 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.289 |
| InChI Key: | ZIQHTZNWRHWHIR-UHFFFAOYSA-N |