4-(3-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)benzonitrile
Chemical Structure Depiction of
4-(3-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)benzonitrile
4-(3-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)benzonitrile
Compound characteristics
| Compound ID: | S395-1163 |
| Compound Name: | 4-(3-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)benzonitrile |
| Molecular Weight: | 388.42 |
| Molecular Formula: | C22 H20 N4 O3 |
| Smiles: | C1CN(CCC12C(N(Cc1ccccc1)C(N2)=O)=O)C(c1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9032 |
| logD: | 1.9032 |
| logSw: | -2.3895 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.35 |
| InChI Key: | ZQJNBJHMFISJQO-UHFFFAOYSA-N |