5-({[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2,1,3-benzothiadiazole
Chemical Structure Depiction of
5-({[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2,1,3-benzothiadiazole
5-({[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2,1,3-benzothiadiazole
Compound characteristics
| Compound ID: | 8019-4029 |
| Compound Name: | 5-({[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2,1,3-benzothiadiazole |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C23 H19 N5 O S2 |
| Smiles: | C(c1ccccc1)n1c(COc2ccccc2)nnc1SCc1ccc2c(c1)nsn2 |
| Stereo: | ACHIRAL |
| logP: | 5.0598 |
| logD: | 5.0598 |
| logSw: | -5.0425 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.627 |
| InChI Key: | XCSCEDFMZPSHAQ-UHFFFAOYSA-N |