Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)n2cc(C3CC(NC(=O)OC(C)(C)C)(C(=O)OCc4ccc([N+](=O)[O-])cc4)NN3)c3ccccc32)cc1- InChIKey
AWHHJUZGCYAGSK-UHFFFAOYSA-N- Molecular formula
- C31H33N5O8S
- Average molar mass
- 635.7 g/mol
- Monoisotopic mass
- 635.2049842
Names & identifiers
- Preferred name
- p-Nitrobenzyl 3-t-Butoxycarbonylamino-5-(N-tosylindol-3-yl)-pyrazoline-3-carboxylate
- IUPAC
- (4-nitrophenyl)methyl 5-[1-(4-methylphenyl)sulfonylindol-3-yl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolidine-3-carboxylate
Names & synonyms
SCHEMBL9664969AWHHJUZGCYAGSK-UHFFFAOYSA-Np-Nitrobenzyl 3-t-Butoxycarbonylamino-5-(N-tosylindol-3-yl)-pyrazoline-3-carboxylate
Database identifiers
- PubChem CID
- 67901638
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 182 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,180
Related reactions
1 records
Compound notes
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