1-[2-(1H-benzimidazole-5-carbonyl)-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-(1H-benzimidazole-5-carbonyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl]-2-methylpropan-1-one
1-[2-(1H-benzimidazole-5-carbonyl)-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: | SB59-0459 |
| Compound Name: | 1-[2-(1H-benzimidazole-5-carbonyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl]-2-methylpropan-1-one |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C21 H25 N7 O2 |
| Smiles: | CC(C)C(N1CC(c2nncn2C)C2(C1)CN(C2)C(c1ccc2c(c1)nc[nH]2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.0524 |
| logD: | -0.0603 |
| logSw: | -2.0101 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.408 |
| InChI Key: | ZRHPGRKVBVILFH-OAHLLOKOSA-N |