methyl 4-(5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1H-tetrazol-1-yl)benzoate
Chemical Structure Depiction of
methyl 4-(5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1H-tetrazol-1-yl)benzoate
methyl 4-(5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1H-tetrazol-1-yl)benzoate
Compound characteristics
| Compound ID: | 6406-0115 |
| Compound Name: | methyl 4-(5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1H-tetrazol-1-yl)benzoate |
| Molecular Weight: | 361.42 |
| Molecular Formula: | C16 H19 N5 O3 S |
| Smiles: | COC(c1ccc(cc1)n1c(nnn1)SCC(N1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2488 |
| logD: | 2.2488 |
| logSw: | -2.3707 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.455 |
| InChI Key: | FPQDYMPZFBQEGY-UHFFFAOYSA-N |