2-(4-ethylbenzene-1-sulfonyl)-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane
Chemical Structure Depiction of
2-(4-ethylbenzene-1-sulfonyl)-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane
2-(4-ethylbenzene-1-sulfonyl)-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane
Compound characteristics
Compound ID: | SC68-0027 |
Compound Name: | 2-(4-ethylbenzene-1-sulfonyl)-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: | CCc1ccc(cc1)S(N1CC(c2nncn2C)C2(CCCCC2)C1)(=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.0785 |
logD: | 3.0784 |
logSw: | -3.2438 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 57.015 |
InChI Key: | BPWVMHMWNSCMCT-SFHVURJKSA-N |