Basic information
- Standard SMILES
CC(C)(C)OC(=O)Nc1cc(N2CCC(OCCO)CC2)c(I)cc1[N+](=O)[O-]- InChIKey
YRPQXMLUULQKPB-UHFFFAOYSA-N- Molecular formula
- C18H26IN3O6
- Average molar mass
- 507.3 g/mol
Names & identifiers
- Preferred name
- tert-butyl N-[5-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-iodo-2-nitrophenyl]carbamate
- IUPAC
- tert-butyl N-[5-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-iodo-2-nitrophenyl]carbamate
Names & synonyms
SCHEMBL7140157
Database identifiers
- PubChem CID
- 70001897
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 530
Related reactions
1 records
Compound notes
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