(4-Chloro-phenyl)-[6-(6-methyl-pyridin-2-yl)-pyrazin-2-yl]-carbamic acid tert-butyl ester
Basic information
- Standard SMILES
Cc1cccc(-c2cncc(N(C(=O)OC(C)(C)C)c3ccc(Cl)cc3)n2)n1- InChIKey
VZSGTFNHTKSTAD-UHFFFAOYSA-N- Molecular formula
- C21H21ClN4O2
- Average molar mass
- 396.9 g/mol
- Monoisotopic mass
- 396.1353036
Names & identifiers
- Preferred name
- (4-Chloro-phenyl)-[6-(6-methyl-pyridin-2-yl)-pyrazin-2-yl]-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-(4-chlorophenyl)-N-[6-(6-methyl-2-pyridinyl)pyrazin-2-yl]carbamate
Names & synonyms
(4-chloro-phenyl)-[6-(6-methyl-pyridin-2-yl)-pyrazin-2-yl]-carbamic acid tert-butyl ester1133082-96-8SCHEMBL2891573VZSGTFNHTKSTAD-UHFFFAOYSA-NDB-309981
Database identifiers
- PubChem CID
- 59570656
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 519
Related reactions
4 records
Compound notes
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