Basic information
- Standard SMILES
Cc1cc(NCCCCNC(=O)OC(C)(C)C)c([N+](=O)[O-])c(Oc2ccccc2)n1- InChIKey
UKKWZVBGSGGGQL-UHFFFAOYSA-N- Molecular formula
- C21H28N4O5
- Average molar mass
- 416.5 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-[(6-methyl-3-nitro-2-phenoxypyridin-4-yl)amino]butylcarbamate
- IUPAC
- tert-butyl N-[4-[(6-methyl-3-nitro-2-phenoxy-4-pyridinyl)amino]butyl]carbamate
Names & synonyms
SCHEMBL6094256UKKWZVBGSGGGQL-UHFFFAOYSA-Ntert-butyl 4-[(6-methyl-3-nitro-2-phenoxypyridin-4-yl)amino]butylcarbamate
Database identifiers
- PubChem CID
- 21973809
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 542
Related reactions
13 records
Compound notes
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