5-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-4-phenyl-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-4-phenyl-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-4-phenyl-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8016-2853 |
| Compound Name: | 5-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-4-phenyl-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 528.09 |
| Molecular Formula: | C29 H22 Cl N3 O S2 |
| Smiles: | C(C1=NN(C2c3ccccc3Oc3ccccc23)C(N1c1ccccc1)=S)SCc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.6952 |
| logD: | 7.6813 |
| logSw: | -6.7756 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 22.0489 |
| InChI Key: | JBXYIPOXJNPANO-UHFFFAOYSA-N |