1-(2,4,6-trimethyl-3-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}phenyl)ethan-1-one
Chemical Structure Depiction of
1-(2,4,6-trimethyl-3-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}phenyl)ethan-1-one
1-(2,4,6-trimethyl-3-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}phenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8009-6515 |
| Compound Name: | 1-(2,4,6-trimethyl-3-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}phenyl)ethan-1-one |
| Molecular Weight: | 352.46 |
| Molecular Formula: | C19 H20 N4 O S |
| Smiles: | CC(c1c(C)cc(C)c(CSc2nnnn2c2ccccc2)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5522 |
| logD: | 4.5522 |
| logSw: | -4.5245 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.715 |
| InChI Key: | CVMWRRYJPGYMSG-UHFFFAOYSA-N |