2-{[(4-bromophenyl)methyl]sulfanyl}-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile
Chemical Structure Depiction of
2-{[(4-bromophenyl)methyl]sulfanyl}-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile
2-{[(4-bromophenyl)methyl]sulfanyl}-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile
Compound characteristics
Compound ID: | 8009-9338 |
Compound Name: | 2-{[(4-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)SCc1ccc(cc1)[Br])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.7219 |
logD: | 3.7087 |
logSw: | -3.9706 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 58.221 |
InChI Key: | BULJGMVMRBYPEX-HNNXBMFYSA-N |