2-({[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-ethylphenyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-({[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-ethylphenyl)quinazolin-4(3H)-one
2-({[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-ethylphenyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 8008-4317 |
| Compound Name: | 2-({[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-ethylphenyl)quinazolin-4(3H)-one |
| Molecular Weight: | 594.53 |
| Molecular Formula: | C31 H24 Br N5 O S |
| Smiles: | CCc1ccc(cc1)N1C(CSc2nnc(c3cccc(c3)[Br])n2c2ccccc2)=Nc2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 6.8214 |
| logD: | 6.8153 |
| logSw: | -5.6951 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.34 |
| InChI Key: | MAIFHHXJLWNXPJ-UHFFFAOYSA-N |