1-(2-Chlorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]-3-(dimethylamino)prop-2-en-1-one
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Basic information
- CAS
352319-39-2- Standard SMILES
CN(C)C=C(C(=O)c1ccccc1Cl)c1nnnn1-c1ccc(Cl)cc1- InChIKey
DDJMRKKMELAVHB-UHFFFAOYSA-N- Molecular formula
- C18H15Cl2N5O
- Average molar mass
- 388.2 g/mol
- Monoisotopic mass
- 387.0653655
Names & identifiers
- Preferred name
- 1-(2-Chlorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]-3-(dimethylamino)prop-2-en-1-one
- IUPAC
- 1-(2-chlorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]-3-(dimethylamino)prop-2-en-1-one
- English name
- 1-(2-chlorophenyl)-2-[1-(4-chlorophenyl)-1H-tetraazol-5-yl]-3-(dimethylamino)-2-propen-1-one
- Molecular formula
- C18H15Cl2N5O
- Molecular weight
- 388.25
Names & synonyms
1-(2-chlorophenyl)-2-[1-(4-chlorophenyl)-1H-tetraazol-5-yl]-3-(dimethylamino)-2-propen-1-one
Database identifiers
- CAS
352319-39-2- PubChem CID
- 4252121
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 522
Physicochemical properties
- Boiling point
- 541.105 · 541.105±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.355 · 1.355±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.109 · 2.109±0.70(predicted)
Related reactions
0 records
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Compound notes
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