Basic information
- Standard SMILES
COCc1c(C(N)=O)ncc2[nH]c3cccc(Oc4ccccc4)c3c12- InChIKey
JABJCRTZTVNPHX-UHFFFAOYSA-N- Molecular formula
- C20H17N3O3
- Average molar mass
- 347.4 g/mol
Names & identifiers
- Preferred name
- 5-Phenoxy-4-methoxymethyl-beta-carboline-3-carboxamide
- IUPAC
- 4-(methoxymethyl)-5-phenoxy-9H-pyrido[3,4-b]indole-3-carboxamide
Names & synonyms
SCHEMBL9535910JABJCRTZTVNPHX-UHFFFAOYSA-N5-phenoxy-4-methoxymethyl-beta-carboline-3-carboxamide
Database identifiers
- PubChem CID
- 23039409
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 497
Related reactions
3 records
Compound notes
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