2-(phenylmethanesulfonyl)-4-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[4.4]nonane
Chemical Structure Depiction of
2-(phenylmethanesulfonyl)-4-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[4.4]nonane
2-(phenylmethanesulfonyl)-4-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[4.4]nonane
Compound characteristics
| Compound ID: | SC46-0775 |
| Compound Name: | 2-(phenylmethanesulfonyl)-4-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[4.4]nonane |
| Molecular Weight: | 388.53 |
| Molecular Formula: | C20 H28 N4 O2 S |
| Smiles: | CC(C)c1nc(C2CN(CC23CCCC3)S(Cc2ccccc2)(=O)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9074 |
| logD: | 2.9059 |
| logSw: | -3.3958 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.148 |
| InChI Key: | YAUMBBAHHALNLZ-KRWDZBQOSA-N |