Basic information
- CAS
64949-91-3- Standard SMILES
CCOC(=O)C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)c1csc(CCNC(=O)c2ccccc2)n1- InChIKey
OFAIWYIMSPBJQO-UHFFFAOYSA-N- Molecular formula
- C37H35N3O4S2
- Average molar mass
- 649.8 g/mol
- Monoisotopic mass
- 649.20689895
Names & identifiers
- Preferred name
- Ethyl 2-[[2-(2-benzamidoethyl)-1,3-thiazole-4-carbonyl]amino]-3-tritylsulfanylpropanoate
- IUPAC
- ethyl 2-[[2-(2-benzamidoethyl)-1,3-thiazole-4-carbonyl]amino]-3-tritylsulfanylpropanoate
Names & synonyms
64949-91-3NSC264084ethyl 2-[[2-(2-benzamidoethyl)-1,3-thiazole-4-carbonyl]amino]-3-tritylsulfanylpropanoateDTXSID40312917NSC-264084Ethyl N-[2-(2-benzamidoethyl)-1,3-thiazole-4-carbonyl]-S-(triphenylmethyl)cysteinate
Database identifiers
- CAS
64949-91-3- PubChem CID
- 319611
- DTXSID
DTXSID40312917
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 15
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 913
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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