Methyl 2-amino-3-tritylsulfanyl-propanoate

HCID 433582

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)C(N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey: DXUZZMIANHJYIU-UHFFFAOYSA-N
Molecular formula: C23H23NO2S
Average molar mass: 377.5 g/mol

Names & identifiers

Preferred name: Methyl 2-amino-3-tritylsulfanyl-propanoate
IUPAC: methyl 2-amino-3-tritylsulfanylpropanoate

Names & synonyms

C23H23NO2SSCHEMBL9137501methyl 2-amino-3-tritylsulfanyl-propanoate

Database identifiers

PubChem CID: 433582

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 77.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 27
Formal charge: 0
Complexity: 406

Related reactions

2 records

New reaction record

HRID 2158460 reaction equation

HRID 2158460As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2349724 reaction equation

HRID 2349724As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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