3-{[(2-bromophenyl)methyl]sulfanyl}-5-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2-bromophenyl)methyl]sulfanyl}-5-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-phenyl-4H-1,2,4-triazole
3-{[(2-bromophenyl)methyl]sulfanyl}-5-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8018-6627 |
| Compound Name: | 3-{[(2-bromophenyl)methyl]sulfanyl}-5-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 480.38 |
| Molecular Formula: | C23 H18 Br N3 O2 S |
| Smiles: | C1C(c2nnc(n2c2ccccc2)SCc2ccccc2[Br])Oc2ccccc2O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7712 |
| logD: | 5.7712 |
| logSw: | -6.0244 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.15 |
| InChI Key: | BREFFWZYHXMUGU-NRFANRHFSA-N |