1-[6-benzyl-8-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]octan-2-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-[6-benzyl-8-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]octan-2-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one
1-[6-benzyl-8-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]octan-2-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | SC55-1173 |
| Compound Name: | 1-[6-benzyl-8-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]octan-2-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 445.57 |
| Molecular Formula: | C25 H31 N7 O |
| Smiles: | Cc1cc(C)n(CC(N2CC3(CN(CC3c3nc(C4CC4)n[nH]3)Cc3ccccc3)C2)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6661 |
| logD: | -2.6348 |
| logSw: | -2.1999 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.295 |
| InChI Key: | DEBDDOHQYJHCRX-OAQYLSRUSA-N |