2-[(4-methylphenyl)methanesulfonyl]-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane
Chemical Structure Depiction of
2-[(4-methylphenyl)methanesulfonyl]-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane
2-[(4-methylphenyl)methanesulfonyl]-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane
Compound characteristics
| Compound ID: | SC68-0029 |
| Compound Name: | 2-[(4-methylphenyl)methanesulfonyl]-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane |
| Molecular Weight: | 388.53 |
| Molecular Formula: | C20 H28 N4 O2 S |
| Smiles: | Cc1ccc(CS(N2CC(c3nncn3C)C3(CCCCC3)C2)(=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1884 |
| logD: | 2.1883 |
| logSw: | -2.5257 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.909 |
| InChI Key: | BWZSOCACXCAMPV-SFHVURJKSA-N |