ethyl 4-[5-acetyl-3-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]-4-phenyl-3H-1,2,4-triazol-2-yl]benzoate
Basic information
- CAS
666208-70-4- Standard SMILES
CCOC(=O)c1ccc(N2N=C(C(C)=O)N(c3ccccc3)C2c2cc(Cl)ccc2OCc2ccccc2Cl)cc1- InChIKey
CXMVVMZITRKTDH-UHFFFAOYSA-N- Molecular formula
- C32H27Cl2N3O4
- Average molar mass
- 588.5 g/mol
- Monoisotopic mass
- 587.1378617
Names & identifiers
- Preferred name
- ethyl 4-[5-acetyl-3-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]-4-phenyl-3H-1,2,4-triazol-2-yl]benzoate
- IUPAC
- ethyl 4-[5-acetyl-3-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]-4-phenyl-3H-1,2,4-triazol-2-yl]benzoate
- English name
- ethyl 4-(3-acetyl-5-{5-chloro-2-[(2-chlorobenzyl)oxy]phenyl}-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-1-yl)benzoate
- Molecular formula
- C32H27Cl2N3O4
- Molecular weight
- 588.48048
Names & synonyms
ethyl 4-(3-acetyl-5-{5-chloro-2-[(2-chlorobenzyl)oxy]phenyl}-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-1-yl)benzoateAN-465/41863024AKOS001482003ethyl 4-[5-acetyl-3-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]-4-phenyl-3H-1,2,4-triazol-2-yl]benzoate
Database identifiers
- CAS
666208-70-4- PubChem CID
- 3906241
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 921
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