6-benzyl-8-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2-(pyridine-3-sulfonyl)-2,6-diazaspiro[3.4]octane
Chemical Structure Depiction of
6-benzyl-8-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2-(pyridine-3-sulfonyl)-2,6-diazaspiro[3.4]octane
6-benzyl-8-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2-(pyridine-3-sulfonyl)-2,6-diazaspiro[3.4]octane
Compound characteristics
| Compound ID: | SC55-0530 |
| Compound Name: | 6-benzyl-8-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2-(pyridine-3-sulfonyl)-2,6-diazaspiro[3.4]octane |
| Molecular Weight: | 452.58 |
| Molecular Formula: | C23 H28 N6 O2 S |
| Smiles: | CC(C)c1nc(C2CN(Cc3ccccc3)CC23CN(C3)S(c2cccnc2)(=O)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4412 |
| logD: | -0.9079 |
| logSw: | -2.3736 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.144 |
| InChI Key: | VYAJYFWTFSMNRA-HXUWFJFHSA-N |