3-(3-methoxyphenyl)-6-{[3-(trifluoromethyl)phenyl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Chemical Structure Depiction of
3-(3-methoxyphenyl)-6-{[3-(trifluoromethyl)phenyl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
3-(3-methoxyphenyl)-6-{[3-(trifluoromethyl)phenyl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | C656-0601 |
| Compound Name: | 3-(3-methoxyphenyl)-6-{[3-(trifluoromethyl)phenyl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 401.35 |
| Molecular Formula: | C19 H14 F3 N5 O2 |
| Smiles: | COc1cccc(c1)n1c2c(C(N(Cc3cccc(c3)C(F)(F)F)C=N2)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 3.0457 |
| logD: | 3.0457 |
| logSw: | -3.322 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.702 |
| InChI Key: | HNSBURQLHWJPSU-UHFFFAOYSA-N |