2-{[(2-bromophenyl)methyl]sulfanyl}-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile
Chemical Structure Depiction of
2-{[(2-bromophenyl)methyl]sulfanyl}-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile
2-{[(2-bromophenyl)methyl]sulfanyl}-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8010-0167 |
| Compound Name: | 2-{[(2-bromophenyl)methyl]sulfanyl}-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile |
| Molecular Weight: | 416.34 |
| Molecular Formula: | C19 H18 Br N3 O S |
| Smiles: | C1CCC2(CC1)C(C#N)C(NC(=C2C#N)SCc1ccccc1[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9498 |
| logD: | 3.9407 |
| logSw: | -4.017 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.221 |
| InChI Key: | FIXRSRDLEOQXTD-AWEZNQCLSA-N |