Basic information
- Standard SMILES
COC(=O)CCC(c1cccc(Cl)c1)C(N=[N+]=[N-])c1ccc(Cl)cn1- InChIKey
XJKVLFPUUJMVAY-UHFFFAOYSA-N- Molecular formula
- C17H16Cl2N4O2
- Average molar mass
- 379.2 g/mol
- Monoisotopic mass
- 378.0650312
Names & identifiers
- Preferred name
- Methyl 5-azido-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)pentanoate
- IUPAC
- methyl 5-azido-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)pentanoate
Names & synonyms
SCHEMBL14835246
Database identifiers
- PubChem CID
- 76834636
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 53.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 487
Related reactions
1 records
Compound notes
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