3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-{1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazol-2-yl}adamantane-1-carboxamide
Chemical Structure Depiction of
3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-{1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazol-2-yl}adamantane-1-carboxamide
3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-{1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazol-2-yl}adamantane-1-carboxamide
Compound characteristics
| Compound ID: | Y508-9226 |
| Compound Name: | 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-{1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazol-2-yl}adamantane-1-carboxamide |
| Molecular Weight: | 554.49 |
| Molecular Formula: | C26 H32 Br N7 O2 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)n1cnc(n1)[Br])C(Nc1nc2ccccc2n1CCN1CCOCC1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0643 |
| logD: | 3.995 |
| logSw: | -4.3202 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.367 |
| InChI Key: | HCFJPQOJYUWWNB-UHFFFAOYSA-N |