2-(4-(2-(Diethylamino)ethoxy)phenyl)-3-(4-(isopropylthio)phenyl)acrylonitrile
Basic information
- CAS
1174-08-9- Standard SMILES
CCN(CC)CCOc1ccc(C(C#N)=Cc2ccc(SC(C)C)cc2)cc1- InChIKey
KDRRJYFXQJJXRM-UHFFFAOYSA-N- Molecular formula
- C24H30N2OS
- Average molar mass
- 394.6 g/mol
- Monoisotopic mass
- 394.20788476
Names & identifiers
- Preferred name
- 2-(4-(2-(Diethylamino)ethoxy)phenyl)-3-(4-(isopropylthio)phenyl)acrylonitrile
- IUPAC
- 2-[4-[2-(diethylamino)ethoxy]phenyl]-3-(4-propan-2-ylsulfanylphenyl)prop-2-enenitrile
Names & synonyms
NSC64989NSC 649891174-08-92-(4-(2-(Diethylamino)ethoxy)phenyl)-3-(4-(isopropylthio)phenyl)acrylonitrile2-[4-(2-diethylaminoethyloxy)phenyl]-3-(4-isopropylsulfanylphenyl)prop-2-enenitrile
Database identifiers
- CAS
1174-08-9- PubChem CID
- 414893
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 504
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