3-{3-[(2,5-dimethylphenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl}benzonitrile
Chemical Structure Depiction of
3-{3-[(2,5-dimethylphenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl}benzonitrile
3-{3-[(2,5-dimethylphenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | S395-0788 |
| Compound Name: | 3-{3-[(2,5-dimethylphenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl}benzonitrile |
| Molecular Weight: | 416.48 |
| Molecular Formula: | C24 H24 N4 O3 |
| Smiles: | Cc1ccc(C)c(CN2C(C3(CCN(CC3)C(c3cccc(C#N)c3)=O)NC2=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.8319 |
| logD: | 2.8319 |
| logSw: | -3.1022 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.35 |
| InChI Key: | BLHNCKBMDOPIIA-UHFFFAOYSA-N |