Methyl 3-naphthalen-2-yl-2-[4-(2-nitrophenyl)sulfonyl-2-oxo-3-prop-2-enylpiperazin-1-yl]propanoate
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Basic information
- Standard SMILES
C=CCC1C(=O)N(C(Cc2ccc3ccccc3c2)C(=O)OC)CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]- InChIKey
LDCZNQDGNSDVRH-UHFFFAOYSA-N- Molecular formula
- C27H27N3O7S
- Average molar mass
- 537.6 g/mol
Names & identifiers
- Preferred name
- Methyl 3-naphthalen-2-yl-2-[4-(2-nitrophenyl)sulfonyl-2-oxo-3-prop-2-enylpiperazin-1-yl]propanoate
- IUPAC
- methyl 3-naphthalen-2-yl-2-[4-(2-nitrophenyl)sulfonyl-2-oxo-3-prop-2-enylpiperazin-1-yl]propanoate
Names & synonyms
SCHEMBL5844589
Database identifiers
- PubChem CID
- 69587693
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 992
Related reactions
1 records
Compound notes
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