Basic information
- CAS
5781-45-3- Standard SMILES
CN(C(=O)CN(CCOC(=O)c1ccc([N+](=O)[O-])cc1)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1.Cl- InChIKey
PQPKCUDCZFCUJY-UHFFFAOYSA-N- Molecular formula
- C35H45ClN4O6
- Average molar mass
- 653.2 g/mol
- Monoisotopic mass
- 652.3027629
Names & identifiers
- Preferred name
- WY 930
- IUPAC
- 2-[bis[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]ethyl 4-nitrobenzoate;hydrochloride
Names & synonyms
WY 9305781-45-3Acetamide, 2,2'-((2-((4-nitrobenzoyl)oxy)ethyl)imino)bis(N-(1,1-dimethyl-2-phenylethyl)-N-methyl-, monohydrochlorideDTXSID90206519RefChem:388407DTXCID701290102-(Bis{2-[methyl(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl}amino)ethyl 4-nitrobenzoate--hydrogen chloride (1/1)
Database identifiers
- CAS
5781-45-3- PubChem CID
- 201289
- DTXSID
DTXSID90206519
Properties
Computed structural properties
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 15
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 923
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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