3-(4-ethylphenyl)-2-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
3-(4-ethylphenyl)-2-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinazolin-4(3H)-one
3-(4-ethylphenyl)-2-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 8008-4536 |
| Compound Name: | 3-(4-ethylphenyl)-2-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinazolin-4(3H)-one |
| Molecular Weight: | 545.66 |
| Molecular Formula: | C32 H27 N5 O2 S |
| Smiles: | CCc1ccc(cc1)N1C(CSc2nnc(c3ccc(cc3)OC)n2c2ccccc2)=Nc2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 5.9567 |
| logD: | 5.9506 |
| logSw: | -5.5077 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.884 |
| InChI Key: | ZEJCTOSRTHTOKJ-UHFFFAOYSA-N |