methyl 4-(5-{[(2,4,6-trimethylphenyl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoate
Chemical Structure Depiction of
methyl 4-(5-{[(2,4,6-trimethylphenyl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoate
methyl 4-(5-{[(2,4,6-trimethylphenyl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoate
Compound characteristics
| Compound ID: | 3448-5990 |
| Compound Name: | methyl 4-(5-{[(2,4,6-trimethylphenyl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoate |
| Molecular Weight: | 368.46 |
| Molecular Formula: | C19 H20 N4 O2 S |
| Smiles: | Cc1cc(C)c(CSc2nnnn2c2ccc(cc2)C(=O)OC)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.231 |
| logD: | 5.231 |
| logSw: | -5.0742 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.063 |
| InChI Key: | REGLIJIGKVUJDF-UHFFFAOYSA-N |