3-(1H-tetrazol-1-yl)phenyl adamantane-1-carboxylate
Chemical Structure Depiction of
3-(1H-tetrazol-1-yl)phenyl adamantane-1-carboxylate
3-(1H-tetrazol-1-yl)phenyl adamantane-1-carboxylate
Compound characteristics
| Compound ID: | D453-0726 |
| Compound Name: | 3-(1H-tetrazol-1-yl)phenyl adamantane-1-carboxylate |
| Molecular Weight: | 324.38 |
| Molecular Formula: | C18 H20 N4 O2 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)C(=O)Oc1cccc(c1)n1cnnn1 |
| Stereo: | ACHIRAL |
| logP: | 4.1562 |
| logD: | 4.1562 |
| logSw: | -4.5382 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.415 |
| InChI Key: | YHBUVQCUUDZKDA-UHFFFAOYSA-N |