5-({[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
Chemical Structure Depiction of
5-({[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
5-({[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | J031-0074 |
| Compound Name: | 5-({[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole |
| Molecular Weight: | 481.53 |
| Molecular Formula: | C23 H23 N5 O5 S |
| Smiles: | Cn1c(c2ccc3c(c2)OCCCO3)nnc1SCc1nc(c2ccc(c(c2)OC)OC)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.5153 |
| logD: | 3.5152 |
| logSw: | -3.7915 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 87.809 |
| InChI Key: | GIQSUOKTXXUWNF-UHFFFAOYSA-N |