3-(4-benzyl-1,1,3-trioxo-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-8-carbonyl)benzonitrile
Chemical Structure Depiction of
3-(4-benzyl-1,1,3-trioxo-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-8-carbonyl)benzonitrile
3-(4-benzyl-1,1,3-trioxo-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-8-carbonyl)benzonitrile
Compound characteristics
| Compound ID: | T140-1232 |
| Compound Name: | 3-(4-benzyl-1,1,3-trioxo-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-8-carbonyl)benzonitrile |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C22 H21 N3 O4 S |
| Smiles: | C1CN(CCC12N(Cc1ccccc1)C(CS2(=O)=O)=O)C(c1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3633 |
| logD: | 1.2976 |
| logSw: | -2.2108 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.734 |
| InChI Key: | DIIPIUABOLYNTG-UHFFFAOYSA-N |