3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4,5-trimethoxyphenyl)adamantane-1-carboxamide
Chemical Structure Depiction of
3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4,5-trimethoxyphenyl)adamantane-1-carboxamide
3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4,5-trimethoxyphenyl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | Y501-8282 |
| Compound Name: | 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4,5-trimethoxyphenyl)adamantane-1-carboxamide |
| Molecular Weight: | 491.38 |
| Molecular Formula: | C22 H27 Br N4 O4 |
| Smiles: | COc1cc(cc(c1OC)OC)NC(C12CC3CC(C1)CC(C3)(C2)n1cnc(n1)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8126 |
| logD: | 3.7981 |
| logSw: | -4.1174 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.639 |
| InChI Key: | OSEHNXUUDAZGTC-UHFFFAOYSA-N |