Basic information
- Standard SMILES
CCOC(=O)c1cc2c(cn1)[nH]c1ccc(P(=O)(OCC)OCC)cc12- InChIKey
NLPCYXPXHZLZSO-UHFFFAOYSA-N- Molecular formula
- C18H21N2O5P
- Average molar mass
- 376.3 g/mol
Names & identifiers
- Preferred name
- 6-Diethoxyphosphoryl-beta-carboline-3-carboxylic-acid-ethylester
- IUPAC
- ethyl 6-diethoxyphosphoryl-9H-pyrido[3,4-b]indole-3-carboxylate
Names & synonyms
SCHEMBL10708353NLPCYXPXHZLZSO-UHFFFAOYSA-N6-diethoxyphosphoryl-beta-carboline-3-carboxylic-acid-ethylester
Database identifiers
- PubChem CID
- 13136239
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 536
Related reactions
2 records
Compound notes
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