methyl 4-(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoate
Chemical Structure Depiction of
methyl 4-(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoate
methyl 4-(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoate
Compound characteristics
| Compound ID: | 3462-0266 |
| Compound Name: | methyl 4-(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoate |
| Molecular Weight: | 375.45 |
| Molecular Formula: | C17 H21 N5 O3 S |
| Smiles: | COC(c1ccc(cc1)n1c(nnn1)SCC(NC1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8819 |
| logD: | 2.8819 |
| logSw: | -3.29 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.259 |
| InChI Key: | BUMHLFARNBIYQM-UHFFFAOYSA-N |