{6-benzyl-8-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2,6-diazaspiro[3.4]octan-2-yl}(5-bromopyridin-3-yl)methanone
Chemical Structure Depiction of
{6-benzyl-8-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2,6-diazaspiro[3.4]octan-2-yl}(5-bromopyridin-3-yl)methanone
{6-benzyl-8-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2,6-diazaspiro[3.4]octan-2-yl}(5-bromopyridin-3-yl)methanone
Compound characteristics
| Compound ID: | SC55-0563 |
| Compound Name: | {6-benzyl-8-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2,6-diazaspiro[3.4]octan-2-yl}(5-bromopyridin-3-yl)methanone |
| Molecular Weight: | 495.42 |
| Molecular Formula: | C24 H27 Br N6 O |
| Smiles: | CC(C)c1nc(C2CN(Cc3ccccc3)CC23CN(C3)C(c2cc(cnc2)[Br])=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2674 |
| logD: | -0.9173 |
| logSw: | -3.2916 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.171 |
| InChI Key: | VBXPJQQHZVHKQL-HXUWFJFHSA-N |