3-(3-bromo-1H-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid
Chemical Structure Depiction of
3-(3-bromo-1H-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid
3-(3-bromo-1H-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y507-0002 |
| Compound Name: | 3-(3-bromo-1H-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid |
| Molecular Weight: | 326.19 |
| Molecular Formula: | C13 H16 Br N3 O2 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)n1cnc(n1)[Br])C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5519 |
| logD: | 0.3675 |
| logSw: | -2.0984 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.978 |
| InChI Key: | ODVKAFUIFXUNTK-UHFFFAOYSA-N |