methyl 4-(5-{[(2-methoxyphenyl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoate
Chemical Structure Depiction of
methyl 4-(5-{[(2-methoxyphenyl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoate
methyl 4-(5-{[(2-methoxyphenyl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoate
Compound characteristics
| Compound ID: | 5535-0894 |
| Compound Name: | methyl 4-(5-{[(2-methoxyphenyl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoate |
| Molecular Weight: | 356.4 |
| Molecular Formula: | C17 H16 N4 O3 S |
| Smiles: | COC(c1ccc(cc1)n1c(nnn1)SCc1ccccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6921 |
| logD: | 3.6921 |
| logSw: | -3.9616 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.693 |
| InChI Key: | QFCITOQUKIFZGA-UHFFFAOYSA-N |