1-[2-(2-methyl-1H-indol-3-yl)ethyl]-7-phenyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
1-[2-(2-methyl-1H-indol-3-yl)ethyl]-7-phenyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
1-[2-(2-methyl-1H-indol-3-yl)ethyl]-7-phenyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | 8012-9943 |
| Compound Name: | 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-7-phenyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 535.45 |
| Molecular Formula: | C25 H19 F6 N5 O2 |
| Smiles: | Cc1c(CCN2C3=C(C(NC2=O)=O)C(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2)N3)c2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 5.0556 |
| logD: | 4.8889 |
| logSw: | -4.8042 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.243 |
| InChI Key: | GAHGDYPMDKGQFY-UHFFFAOYSA-N |