Basic information
- Standard SMILES
COc1ccc(CNc2nccc(Oc3ccc(NC(=O)OC(C)(C)C)c4ccccc34)n2)cc1- InChIKey
RPAACLVITXUNFX-UHFFFAOYSA-N- Molecular formula
- C27H28N4O4
- Average molar mass
- 472.5 g/mol
- Monoisotopic mass
- 472.21105539
Names & identifiers
- Preferred name
- Tert-butyl 4-(2-(4-methoxybenzylamino)pyrimidin-4-yloxy)naphthalen-1-ylcarbamate
- IUPAC
- tert-butyl N-[4-[2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxynaphthalen-1-yl]carbamate
Names & synonyms
SCHEMBL12596423RPAACLVITXUNFX-UHFFFAOYSA-Ntert-butyl 4-(2-(4-methoxybenzylamino)pyrimidin-4-yloxy)naphthalen-1-ylcarbamate
Database identifiers
- PubChem CID
- 68322850
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 664
Related reactions
1 records
Compound notes
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