Basic information
- CAS
35959-83-2- Standard SMILES
CCOC(=O)C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
BZZMQHJAORLLQS-UHFFFAOYSA-N- Molecular formula
- C65H58N2O3S2
- Average molar mass
- 979.3 g/mol
- Monoisotopic mass
- 978.38888606
Names & identifiers
- Preferred name
- Ethyl 2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]-3-tritylsulfanylpropanoate
- IUPAC
- ethyl 2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]-3-tritylsulfanylpropanoate
Names & synonyms
NSC132494NSC-13249435959-83-2
Database identifiers
- CAS
35959-83-2- PubChem CID
- 280617
Properties
Computed structural properties
- XLogP
- 14.8
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 22
- Heavy atoms
- 72
- Formal charge
- 0
- Complexity
- 1,430
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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