Ethyl 2-[5-[bis[(4-chlorophenyl)methyl]amino]tetrazol-2-yl]acetate
Basic information
- CAS
338777-84-7- Standard SMILES
CCOC(=O)Cn1nnc(N(Cc2ccc(Cl)cc2)Cc2ccc(Cl)cc2)n1- InChIKey
HYXBZFWTQLIXBJ-UHFFFAOYSA-N- Molecular formula
- C19H19Cl2N5O2
- Average molar mass
- 420.3 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-[5-[bis[(4-chlorophenyl)methyl]amino]tetrazol-2-yl]acetate
- IUPAC
- ethyl 2-[5-[bis[(4-chlorophenyl)methyl]amino]tetrazol-2-yl]acetate
- English name
- Ethyl 2-(5-[bis(4-chlorobenzyl)amino]-2H-1,2,3,4-tetraazol-2-yl)acetate
- Molecular formula
- C19H19Cl2N5O2
- Molecular weight
- 420.29
Names & synonyms
338777-84-7Ethyl 2-[5-[bis[(4-chlorophenyl)methyl]amino]tetrazol-2-yl]acetateethyl 2-{5-[bis(4-chlorobenzyl)amino]-2H-1,2,3,4-tetraazol-2-yl}acetateethyl 2-(5-{bis[(4-chlorophenyl)methyl]amino}-2H-1,2,3,4-tetrazol-2-yl)acetateOprea1_214573AKOS0050970246B-064Ethyl 2-(5-(bis(4-chlorobenzyl)amino)-2H-tetrazol-2-yl)acetateethyl2-(5-{bis[(4-chlorophenyl)methyl]amino}-2H-1,2,3,4-tetrazol-2-yl)acetateEthyl 2-(5-[bis(4-chlorobenzyl)amino]-2H-1,2,3,4-tetraazol-2-yl)acetate2H-Tetrazole-2-acetic acid, 5-[bis[(4-chlorophenyl)methyl]amino]-, ethyl ester
Database identifiers
- CAS
338777-84-7
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 461
Physicochemical properties
- Boiling point
- 580 · 580.0±60.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 1.67 · 1.67±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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