2-[1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonyl]-4-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[4.4]nonane
Chemical Structure Depiction of
2-[1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonyl]-4-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[4.4]nonane
2-[1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonyl]-4-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[4.4]nonane
Compound characteristics
| Compound ID: | SC46-0570 |
| Compound Name: | 2-[1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonyl]-4-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[4.4]nonane |
| Molecular Weight: | 428.5 |
| Molecular Formula: | C18 H26 F2 N6 O2 S |
| Smiles: | CC(C)c1nc(C2CN(CC23CCCC3)S(c2cnn(C(F)F)c2C)(=O)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8147 |
| logD: | 1.8135 |
| logSw: | -2.1879 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.84 |
| InChI Key: | WDPUXNJQLCEIGI-ZDUSSCGKSA-N |