2H-1-Benzopyran-4-carbonitrile, 7-(diethylamino)-3-(5-methyl-2-benzoxazolyl)-2-oxo-
Basic information
- CAS
70546-10-0- Standard SMILES
CCN(CC)c1ccc2c(C#N)c(-c3nc4cc(C)ccc4o3)c(=O)oc2c1- InChIKey
CKIQLEUCLJONJL-UHFFFAOYSA-N- Molecular formula
- C22H19N3O3
- Average molar mass
- 373.4 g/mol
- Monoisotopic mass
- 373.14264148
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-4-carbonitrile, 7-(diethylamino)-3-(5-methyl-2-benzoxazolyl)-2-oxo-
- IUPAC
- 7-(diethylamino)-3-(5-methyl-1,3-benzoxazol-2-yl)-2-oxochromene-4-carbonitrile
Names & synonyms
2H-1-Benzopyran-4-carbonitrile, 7-(diethylamino)-3-(5-methyl-2-benzoxazolyl)-2-oxo-70546-10-0DTXSID40887251RefChem:484173DTXCID801026556SCHEMBL12520089CKIQLEUCLJONJL-UHFFFAOYSA-N7-(Diethylamino)-3-(5-methyl-1,3-benzoxazol-2-yl)-2-oxo-2H-1-benzopyran-4-carbonitrile
Database identifiers
- CAS
70546-10-0- PubChem CID
- 112423
- DTXSID
DTXSID40887251
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 692
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2H-1-Benzopyran-4-carbonitrile, 7-(diethylamino)-3-(5-methyl-2-benzoxazolyl)-2-oxo-: INACTIVE
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Related reactions
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Compound notes
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