Basic information
- CAS
723737-37-9- Standard SMILES
C#CCOc1c(Br)cc(C2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OCC- InChIKey
MYXOBKARGJHRHQ-UHFFFAOYSA-N- Molecular formula
- C23H23BrN2O4
- Average molar mass
- 471.3 g/mol
- Monoisotopic mass
- 470.08412
Names & identifiers
- Preferred name
- 2-amino-4-(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
- IUPAC
- 2-amino-4-(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
- English name
- 2-amino-4-[3-bromo-5-ethoxy-4-(2-propynyloxy)phenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
- Molecular formula
- C23H23BrN2O4
- Molecular weight
- 471.34372
Names & synonyms
2-amino-4-[3-bromo-5-ethoxy-4-(2-propynyloxy)phenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrileSTL388363AKOS0023435222-amino-4-(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrileAN-988/420595692-amino-4-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Database identifiers
- CAS
723737-37-9- PubChem CID
- 4196983
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 872
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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