Basic information
- CAS
5812-15-7- Standard SMILES
N#C/C(=C/Nc1cccc(Cl)c1Cl)c1nc(-c2cc3ccccc3oc2=O)cs1- InChIKey
CDGBKAMWGGYNQX-RAXLEYEMSA-N- Molecular formula
- C21H11Cl2N3O2S
- Average molar mass
- 440.3 g/mol
- Monoisotopic mass
- 438.9949032
Names & identifiers
- Preferred name
- (Z)-3-(2,3-dichloroanilino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
- IUPAC
- (Z)-3-(2,3-dichloroanilino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Names & synonyms
5812-15-7AC1MFF4KDTXSID60386731STK833793AKOS005623506(Z)-3-(2,3-dichloroanilino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile(2Z)-3-[(2,3-dichlorophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile(Z)-3-((2,3-dichlorophenyl)amino)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile(2Z)-3-(2,3-Dichloroanilino)-2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile3-[(2,3-dichlorophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]acrylonitrile
Database identifiers
- CAS
5812-15-7- PubChem CID
- 2870747
- DTXSID
DTXSID60386731
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 749
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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