1-{2-[(4-fluorophenyl)methanesulfonyl]-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl}-2-methylpropan-1-one
Chemical Structure Depiction of
1-{2-[(4-fluorophenyl)methanesulfonyl]-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl}-2-methylpropan-1-one
1-{2-[(4-fluorophenyl)methanesulfonyl]-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl}-2-methylpropan-1-one
Compound characteristics
| Compound ID: | SB59-0477 |
| Compound Name: | 1-{2-[(4-fluorophenyl)methanesulfonyl]-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl}-2-methylpropan-1-one |
| Molecular Weight: | 435.52 |
| Molecular Formula: | C20 H26 F N5 O3 S |
| Smiles: | CC(C)C(N1CC(c2nncn2C)C2(C1)CN(C2)S(Cc1ccc(cc1)F)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6599 |
| logD: | 0.6598 |
| logSw: | -2.1921 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.835 |
| InChI Key: | VPDQIUQEKYCKHM-QGZVFWFLSA-N |