Basic information
- Standard SMILES
CC(=O)Nc1nc2cnc(N(c3cccc(NC(=O)c4cccc(C(C)(C)C#N)c4Cl)c3)C3CC3)nc2s1- InChIKey
VKCUNVCGGYOEMO-UHFFFAOYSA-N- Molecular formula
- C27H24ClN7O2S
- Average molar mass
- 546 g/mol
- Monoisotopic mass
- 545.1400719
Names & identifiers
- Preferred name
- N-(3-{[2-(acetylamino)[1,3]thiazolo[5,4-d]pyrimidin-5-yl](cyclopropyl)amino}phenyl)-2-chloro-3-(1-cyano-1-methylethyl)benzamide
- IUPAC
- N-[3-[(2-acetamido-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)-cyclopropylamino]phenyl]-2-chloro-3-(2-cyanopropan-2-yl)benzamide
Names & synonyms
SCHEMBL2855463VKCUNVCGGYOEMO-UHFFFAOYSA-NN-(3-{[2-(acetylamino)[1,3]thiazolo[5,4-d]pyrimidin-5-yl](cyclopropyl)amino}phenyl)-2-chloro-3-(1-cyano-1-methylethyl)benzamide
Database identifiers
- PubChem CID
- 59506986
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 940
Related reactions
2 records
Compound notes
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