Basic information
- Standard SMILES
CC(C)C(NC(=O)OC(C)(C)C)C(=O)OCCCc1nc2cc3c(cc2[n+]([O-])n1)CCC3- InChIKey
PSXMLFLZWUIARW-UHFFFAOYSA-N- Molecular formula
- C23H32N4O5
- Average molar mass
- 444.5 g/mol
- Monoisotopic mass
- 444.23727013
Names & identifiers
- Preferred name
- 3-(3-(2-(Tert-butoxycarbonylamino)-3-methylbutanoyloxy)propyl)-7,8-dihydro-6h-indeno[5,6-e][1,2,4]triazine 1-oxide
- IUPAC
- 3-(1-oxido-7,8-dihydro-6H-cyclopenta[g][1,2,4]benzotriazin-1-ium-3-yl)propyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Names & synonyms
SCHEMBL2245415PSXMLFLZWUIARW-UHFFFAOYSA-N3-(3-(2-(tert-butoxycarbonylamino)-3-methylbutanoyloxy)propyl)-7,8-dihydro-6h-indeno[5,6-e][1,2,4]triazine 1-oxide
Database identifiers
- PubChem CID
- 67332263
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 653
Related reactions
1 records
Compound notes
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