Benzhydryl 2-[[2-(phenylmethoxycarbonylamino)-3-tritylsulfanylpropanoyl]amino]acetate
Basic information
- CAS
14429-56-2- Standard SMILES
O=C(CNC(=O)C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCc1ccccc1)OC(c1ccccc1)c1ccccc1- InChIKey
PKZQQDVYXYGHOO-UHFFFAOYSA-N- Molecular formula
- C45H40N2O5S
- Average molar mass
- 720.9 g/mol
- Monoisotopic mass
- 720.26579355
Names & identifiers
- Preferred name
- Benzhydryl 2-[[2-(phenylmethoxycarbonylamino)-3-tritylsulfanylpropanoyl]amino]acetate
- IUPAC
- benzhydryl 2-[[2-(phenylmethoxycarbonylamino)-3-tritylsulfanylpropanoyl]amino]acetate
Names & synonyms
NSC129878NSC-129878
Database identifiers
- CAS
14429-56-2- PubChem CID
- 279387
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 17
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,030
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Compound notes
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