4-{2-[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-5-nitrobenzene-1-sulfonyl}morpholine
Chemical Structure Depiction of
4-{2-[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-5-nitrobenzene-1-sulfonyl}morpholine
4-{2-[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-5-nitrobenzene-1-sulfonyl}morpholine
Compound characteristics
| Compound ID: | 8011-1359 |
| Compound Name: | 4-{2-[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-5-nitrobenzene-1-sulfonyl}morpholine |
| Molecular Weight: | 475.54 |
| Molecular Formula: | C20 H21 N5 O5 S2 |
| Smiles: | Cn1c(Cc2ccccc2)nnc1Sc1ccc(cc1S(N1CCOCC1)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6736 |
| logD: | 2.6736 |
| logSw: | -3.0089 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 99.028 |
| InChI Key: | WZIDMXIHAZASOC-UHFFFAOYSA-N |