1-[2-(1,2-dimethyl-5-phenyl-1H-pyrrole-3-carbonyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl]ethan-1-one
Chemical Structure Depiction of
1-[2-(1,2-dimethyl-5-phenyl-1H-pyrrole-3-carbonyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl]ethan-1-one
1-[2-(1,2-dimethyl-5-phenyl-1H-pyrrole-3-carbonyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB59-0321 |
| Compound Name: | 1-[2-(1,2-dimethyl-5-phenyl-1H-pyrrole-3-carbonyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl]ethan-1-one |
| Molecular Weight: | 432.52 |
| Molecular Formula: | C24 H28 N6 O2 |
| Smiles: | CC(N1CC(c2nncn2C)C2(C1)CN(C2)C(c1cc(c2ccccc2)n(C)c1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0429 |
| logD: | 1.0429 |
| logSw: | -2.3085 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.107 |
| InChI Key: | JILXSNXLRCWNEJ-HXUWFJFHSA-N |