4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)-2-azaspiro[4.4]nonane
Chemical Structure Depiction of
4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)-2-azaspiro[4.4]nonane
4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)-2-azaspiro[4.4]nonane
Compound characteristics
| Compound ID: | SC69-0127 |
| Compound Name: | 4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)-2-azaspiro[4.4]nonane |
| Molecular Weight: | 400.54 |
| Molecular Formula: | C21 H28 N4 O2 S |
| Smiles: | Cn1cnnc1C1CN(CC12CCCC2)S(c1ccc2CCCCc2c1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9872 |
| logD: | 2.9872 |
| logSw: | -3.3003 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.301 |
| InChI Key: | ZMLAYLNKEXJXOI-IBGZPJMESA-N |