7-(4-chlorophenyl)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
7-(4-chlorophenyl)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
7-(4-chlorophenyl)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | Y501-9292 |
| Compound Name: | 7-(4-chlorophenyl)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 520.82 |
| Molecular Formula: | C20 H15 Cl F6 N6 O2 |
| Smiles: | Cc1c(CN2C3=C(C(NC2=O)=O)C(C(F)(F)F)(C(F)(F)F)N=C(c2ccc(cc2)[Cl])N3)cn(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.4656 |
| logD: | 3.2426 |
| logSw: | -4.0883 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.501 |
| InChI Key: | AFEGXHJFGLSNJA-UHFFFAOYSA-N |