4-{3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl}benzonitrile
Chemical Structure Depiction of
4-{3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl}benzonitrile
4-{3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | S395-0567 |
| Compound Name: | 4-{3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl}benzonitrile |
| Molecular Weight: | 422.87 |
| Molecular Formula: | C22 H19 Cl N4 O3 |
| Smiles: | C1CN(CCC12C(N(Cc1cccc(c1)[Cl])C(N2)=O)=O)C(c1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5586 |
| logD: | 2.5586 |
| logSw: | -3.5409 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.35 |
| InChI Key: | BXOAEUBVHAQZMP-UHFFFAOYSA-N |