2-[(4-{[(2Z)-3-Cyclohexyl-2-(cyclohexylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-2-iodophenoxy)methyl]benzonitrile
Basic information
- CAS
5314-91-0- Standard SMILES
N#Cc1ccccc1COc1ccc(C=C2SC(=NC3CCCCC3)N(C3CCCCC3)C2=O)cc1I- InChIKey
WBZKVFAHWLENQD-UHFFFAOYSA-N- Molecular formula
- C30H32IN3O2S
- Average molar mass
- 625.6 g/mol
- Monoisotopic mass
- 625.126
Names & identifiers
- Preferred name
- 2-[(4-{[(2Z)-3-Cyclohexyl-2-(cyclohexylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-2-iodophenoxy)methyl]benzonitrile
- IUPAC
- 2-[[4-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-iodophenoxy]methyl]benzonitrile
Names & synonyms
5314-91-0DTXSID404096392-[(4-{[(2Z)-3-Cyclohexyl-2-(cyclohexylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-2-iodophenoxy)methyl]benzonitrile
Database identifiers
- CAS
5314-91-0- PubChem CID
- 5202890
- DTXSID
DTXSID40409639
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 91 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 902
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Compound notes
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