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Basic information
- Standard SMILES
COc1cc(C(C)=O)ccc1OCCN1CCN(c2n[nH]c3cc(Cl)ccc23)CC1- InChIKey
UBMRMVVKYZNGSI-UHFFFAOYSA-N- Molecular formula
- C22H25ClN4O3
- Average molar mass
- 428.9 g/mol
- Monoisotopic mass
- 428.1615184
Names & identifiers
- Preferred name
- 1-[4-[2-[4-(6-Chloro-1H-indazol-3-yl)1-piperazinyl]ethoxy]-3-methoxyphenyl]-ethanone
- IUPAC
- 1-[4-[2-[4-(6-chloro-1H-indazol-3-yl)piperazin-1-yl]ethoxy]-3-methoxyphenyl]ethanone
Names & synonyms
SCHEMBL1545418UBMRMVVKYZNGSI-UHFFFAOYSA-N1-[4-[2-[4-(6-chloro-1H-indazol-3-yl)-1-piperazinyl]ethoxy]-3-methoxy-phenyl]ethanone1-[4-[2-[4-(6-Chloro-1H-indazol-3-yl)-1-piperazinyl]ethoxy]-3-methoxyphenyl]-ethanone1-[4-[2-[4-(6-Chloro-1H-indazol-3-yl)1-piperazinyl]ethoxy]-3-methoxyphenyl]-ethanone
Database identifiers
- PubChem CID
- 21960004
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 575
Related reactions
6 records
Compound notes
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