6-chloro-4-oxo-N-{4-[4-(propan-2-yl)phenyl]-1,2,5-oxadiazol-3-yl}-4H-chromene-2-carboxamide
Basic information
- CAS
942894-65-7- Standard SMILES
CC(C)c1ccc(-c2nonc2NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)cc1- InChIKey
MHTAFNKNXSXIEI-UHFFFAOYSA-N- Molecular formula
- C21H16ClN3O4
- Average molar mass
- 409.8 g/mol
Names & identifiers
- Preferred name
- 6-chloro-4-oxo-N-{4-[4-(propan-2-yl)phenyl]-1,2,5-oxadiazol-3-yl}-4H-chromene-2-carboxamide
- IUPAC
- 6-chloro-4-oxo-N-[4-(4-propan-2-ylphenyl)-1,2,5-oxadiazol-3-yl]chromene-2-carboxamide
- English name
- 6-chloro-4-oxo-N-{4-[4-(propan-2-yl)phenyl]-1,2,5-oxadiazol-3-yl}-4H-chromene-2-carboxamide
- Molecular formula
- C21H16ClN3O4
- Molecular weight
- 409.82
Names & synonyms
6-chloro-4-oxo-N-{4-[4-(propan-2-yl)phenyl]-1,2,5-oxadiazol-3-yl}-4H-chromene-2-carboxamide942894-65-7STK617393AKOS005551328NCGC00292279-01AB01296184-016-chloro-N-(4-(4-isopropylphenyl)-1,2,5-oxadiazol-3-yl)-4-oxo-4H-chromene-2-carboxamide4H-1-Benzopyran-2-carboxamide, 6-chloro-N-[4-[4-(1-methylethyl)phenyl]-1,2,5-oxadiazol-3-yl]-4-oxo-
Database identifiers
- CAS
942894-65-7
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 662
Physicochemical properties
- Density
- 1.412 · 1.412±0.06 g/cm3(Predicted)
- pka
- 10.42 · 10.42±0.20(Predicted)
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Compound notes
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