4-{3-[(4-methylphenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl}benzonitrile
Chemical Structure Depiction of
4-{3-[(4-methylphenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl}benzonitrile
4-{3-[(4-methylphenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | S395-0418 |
| Compound Name: | 4-{3-[(4-methylphenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl}benzonitrile |
| Molecular Weight: | 402.45 |
| Molecular Formula: | C23 H22 N4 O3 |
| Smiles: | Cc1ccc(CN2C(C3(CCN(CC3)C(c3ccc(C#N)cc3)=O)NC2=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.3266 |
| logD: | 2.3266 |
| logSw: | -2.8091 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.35 |
| InChI Key: | CJVLONAVVXIBAI-UHFFFAOYSA-N |