2-(dodecylsulfanyl)-5-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]cyclohexa-2,5-diene-1,4-dione
Chemical Structure Depiction of
2-(dodecylsulfanyl)-5-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]cyclohexa-2,5-diene-1,4-dione
2-(dodecylsulfanyl)-5-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]cyclohexa-2,5-diene-1,4-dione
Compound characteristics
| Compound ID: | 0104-0081 |
| Compound Name: | 2-(dodecylsulfanyl)-5-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]cyclohexa-2,5-diene-1,4-dione |
| Molecular Weight: | 484.68 |
| Molecular Formula: | C25 H32 N4 O2 S2 |
| Smiles: | CCCCCCCCCCCCSC1=CC(C(=CC1=O)Sc1nnnn1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.8224 |
| logD: | 7.8224 |
| logSw: | -5.7887 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.577 |
| InChI Key: | DDJCMTAVIUZJJR-UHFFFAOYSA-N |