2-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4(3H)-one
Chemical Structure Depiction of
2-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4(3H)-one
2-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 8009-6739 |
| Compound Name: | 2-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4(3H)-one |
| Molecular Weight: | 585.61 |
| Molecular Formula: | C31 H22 F3 N5 O2 S |
| Smiles: | COc1ccc(cc1)c1nnc(n1c1ccccc1)SCC1=Nc2ccccc2C(N1c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8826 |
| logD: | 5.8551 |
| logSw: | -5.6712 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.884 |
| InChI Key: | HVAFEXLUMOYJHX-UHFFFAOYSA-N |