methyl 4-(5-{[(pyridin-2-yl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoate
Chemical Structure Depiction of
methyl 4-(5-{[(pyridin-2-yl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoate
methyl 4-(5-{[(pyridin-2-yl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoate
Compound characteristics
| Compound ID: | 6406-0144 |
| Compound Name: | methyl 4-(5-{[(pyridin-2-yl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoate |
| Molecular Weight: | 327.36 |
| Molecular Formula: | C15 H13 N5 O2 S |
| Smiles: | COC(c1ccc(cc1)n1c(nnn1)SCc1ccccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5148 |
| logD: | 2.4982 |
| logSw: | -2.4493 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.606 |
| InChI Key: | LVRBGEILBRDWRA-UHFFFAOYSA-N |