5-methyl-5-(3-methylbutyl)-2-(3-methylphenyl)-1,2,4-triazolidin-3-one
Chemical Structure Depiction of
5-methyl-5-(3-methylbutyl)-2-(3-methylphenyl)-1,2,4-triazolidin-3-one
5-methyl-5-(3-methylbutyl)-2-(3-methylphenyl)-1,2,4-triazolidin-3-one
Compound characteristics
| Compound ID: | J063-0090 |
| Compound Name: | 5-methyl-5-(3-methylbutyl)-2-(3-methylphenyl)-1,2,4-triazolidin-3-one |
| Molecular Weight: | 261.37 |
| Molecular Formula: | C15 H23 N3 O |
| Smiles: | CC(C)CCC1(C)NC(N(c2cccc(C)c2)N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0737 |
| logD: | 4.0737 |
| logSw: | -4.1016 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.754 |
| InChI Key: | GVFLHZXABJAXMT-HNNXBMFYSA-N |