Basic information
- CAS
400744-37-8- Standard SMILES
COc1ccc(C(=O)C=CNc2ccc3[nH]ncc3c2)cc1- InChIKey
UWQPNRDIHVUBEJ-UHFFFAOYSA-N- Molecular formula
- C17H15N3O2
- Average molar mass
- 293.32 g/mol
- Monoisotopic mass
- 293.11642673
Names & identifiers
- Preferred name
- 3-(1H-indazol-5-ylamino)-1-(4-methoxyphenyl)prop-2-en-1-one
- IUPAC
- 3-(1H-indazol-5-ylamino)-1-(4-methoxyphenyl)prop-2-en-1-one
Names & synonyms
3-(1H-Indazol-5-ylamino)-1-(4-methoxyphenyl)-2-propen-1-oneDTXSID701187951400744-37-83-[(1H-Indazol-5-yl)amino]-1-(4-methoxyphenyl)prop-2-en-1-one
Database identifiers
- CAS
400744-37-8- PubChem CID
- 804355
- DTXSID
DTXSID701187951
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 67 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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