3-(4-chlorophenyl)-5-({[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole
Chemical Structure Depiction of
3-(4-chlorophenyl)-5-({[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole
3-(4-chlorophenyl)-5-({[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | J031-0062 |
| Compound Name: | 3-(4-chlorophenyl)-5-({[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole |
| Molecular Weight: | 455.92 |
| Molecular Formula: | C21 H18 Cl N5 O3 S |
| Smiles: | Cn1c(c2ccc3c(c2)OCCCO3)nnc1SCc1nc(c2ccc(cc2)[Cl])no1 |
| Stereo: | ACHIRAL |
| logP: | 4.4875 |
| logD: | 4.4875 |
| logSw: | -4.723 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.548 |
| InChI Key: | VYIFQPMPRFTDPO-UHFFFAOYSA-N |