4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-[(4-methylphenyl)methanesulfonyl]-2-azaspiro[4.4]nonane
Chemical Structure Depiction of
4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-[(4-methylphenyl)methanesulfonyl]-2-azaspiro[4.4]nonane
4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-[(4-methylphenyl)methanesulfonyl]-2-azaspiro[4.4]nonane
Compound characteristics
| Compound ID: | SC69-0704 |
| Compound Name: | 4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-[(4-methylphenyl)methanesulfonyl]-2-azaspiro[4.4]nonane |
| Molecular Weight: | 388.53 |
| Molecular Formula: | C20 H28 N4 O2 S |
| Smiles: | CCn1cnnc1C1CN(CC12CCCC2)S(Cc1ccc(C)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0003 |
| logD: | 2.0002 |
| logSw: | -2.4187 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.444 |
| InChI Key: | IWFLEMIAZRBVHJ-SFHVURJKSA-N |