N-(4-bromophenyl)-2-[(1,5-dicyano-8-methyl-4-oxo-3-azaspiro[5.5]undec-1-en-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-[(1,5-dicyano-8-methyl-4-oxo-3-azaspiro[5.5]undec-1-en-2-yl)sulfanyl]acetamide
N-(4-bromophenyl)-2-[(1,5-dicyano-8-methyl-4-oxo-3-azaspiro[5.5]undec-1-en-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8009-7395 |
| Compound Name: | N-(4-bromophenyl)-2-[(1,5-dicyano-8-methyl-4-oxo-3-azaspiro[5.5]undec-1-en-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 473.39 |
| Molecular Formula: | C21 H21 Br N4 O2 S |
| Smiles: | CC1CCCC2(C1)C(C#N)C(NC(=C2C#N)SCC(Nc1ccc(cc1)[Br])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0058 |
| logD: | 3.984 |
| logSw: | -3.9778 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.37 |
| InChI Key: | XFIYGHNQXGHJBV-UHFFFAOYSA-N |