methyl 2-{[2-(adamantan-1-yl)-2-oxoethyl]sulfanyl}benzoate
Chemical Structure Depiction of
methyl 2-{[2-(adamantan-1-yl)-2-oxoethyl]sulfanyl}benzoate
methyl 2-{[2-(adamantan-1-yl)-2-oxoethyl]sulfanyl}benzoate
Compound characteristics
| Compound ID: | 8019-8758 |
| Compound Name: | methyl 2-{[2-(adamantan-1-yl)-2-oxoethyl]sulfanyl}benzoate |
| Molecular Weight: | 344.47 |
| Molecular Formula: | C20 H24 O3 S |
| Smiles: | COC(c1ccccc1SCC(C12CC3CC(CC(C3)C2)C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0652 |
| logD: | 5.0652 |
| logSw: | -4.8812 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 34.421 |
| InChI Key: | ISLPTAGGZGBKNX-UHFFFAOYSA-N |