2-methyl-1-[8-(4-methyl-4H-1,2,4-triazol-3-yl)-2-(phenylmethanesulfonyl)-2,6-diazaspiro[3.4]octan-6-yl]propan-1-one
Chemical Structure Depiction of
2-methyl-1-[8-(4-methyl-4H-1,2,4-triazol-3-yl)-2-(phenylmethanesulfonyl)-2,6-diazaspiro[3.4]octan-6-yl]propan-1-one
2-methyl-1-[8-(4-methyl-4H-1,2,4-triazol-3-yl)-2-(phenylmethanesulfonyl)-2,6-diazaspiro[3.4]octan-6-yl]propan-1-one
Compound characteristics
| Compound ID: | SB59-0419 |
| Compound Name: | 2-methyl-1-[8-(4-methyl-4H-1,2,4-triazol-3-yl)-2-(phenylmethanesulfonyl)-2,6-diazaspiro[3.4]octan-6-yl]propan-1-one |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C20 H27 N5 O3 S |
| Smiles: | CC(C)C(N1CC(c2nncn2C)C2(C1)CN(C2)S(Cc1ccccc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6308 |
| logD: | 0.6308 |
| logSw: | -2.0849 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.835 |
| InChI Key: | PYBARRIFDFDGEQ-QGZVFWFLSA-N |