2-(azepan-1-yl)-1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]ethan-1-one
Chemical Structure Depiction of
2-(azepan-1-yl)-1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]ethan-1-one
2-(azepan-1-yl)-1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | SC46-0307 |
| Compound Name: | 2-(azepan-1-yl)-1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]ethan-1-one |
| Molecular Weight: | 371.53 |
| Molecular Formula: | C21 H33 N5 O |
| Smiles: | C1CCCN(CC1)CC(N1CC(c2nc(C3CC3)n[nH]2)C2(CCCC2)C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5149 |
| logD: | 0.0784 |
| logSw: | -2.5262 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.25 |
| InChI Key: | AODVXSIEFDOBED-KRWDZBQOSA-N |