6-(4-hexylbenzoyl)-2-{[2-(trifluoromethyl)phenyl]methyl}-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-(4-hexylbenzoyl)-2-{[2-(trifluoromethyl)phenyl]methyl}-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
6-(4-hexylbenzoyl)-2-{[2-(trifluoromethyl)phenyl]methyl}-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V017-2842 |
| Compound Name: | 6-(4-hexylbenzoyl)-2-{[2-(trifluoromethyl)phenyl]methyl}-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 497.56 |
| Molecular Formula: | C28 H30 F3 N3 O2 |
| Smiles: | CCCCCCc1ccc(cc1)C(N1CCC2=C(C1)C(NC(Cc1ccccc1C(F)(F)F)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9712 |
| logD: | 5.9281 |
| logSw: | -5.3367 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.261 |
| InChI Key: | FMJUJYREWQIVBT-UHFFFAOYSA-N |