Basic information
- Standard SMILES
CC(=O)Nc1nc2cnc(N(c3cccc(N(C(=O)[O-])C(C)(C)C)c3)C3CC3)nc2s1- InChIKey
UCFQSUACVRKVBE-UHFFFAOYSA-M- Molecular formula
- C21H23N6O3S-
- Average molar mass
- 439.5 g/mol
- Monoisotopic mass
- 439.15523479
Names & identifiers
- IUPAC
- N-[3-[(2-acetamido-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)-cyclopropylamino]phenyl]-N-tert-butylcarbamate
Database identifiers
- PubChem CID
- 86646087
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- -1
- Complexity
- 679
Related reactions
1 records
Compound notes
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