2-(3,5-dimethoxyphenyl)-1-[6-(methanesulfonyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-2-yl]ethan-1-one
Chemical Structure Depiction of
2-(3,5-dimethoxyphenyl)-1-[6-(methanesulfonyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-2-yl]ethan-1-one
2-(3,5-dimethoxyphenyl)-1-[6-(methanesulfonyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB59-0130 |
| Compound Name: | 2-(3,5-dimethoxyphenyl)-1-[6-(methanesulfonyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-2-yl]ethan-1-one |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C20 H27 N5 O5 S |
| Smiles: | Cn1cnnc1C1CN(CC12CN(C2)C(Cc1cc(cc(c1)OC)OC)=O)S(C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.0921 |
| logD: | 0.0921 |
| logSw: | -1.7532 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.993 |
| InChI Key: | MRIJVPFHOAKZBT-KRWDZBQOSA-N |