Basic information
- Standard SMILES
Nc1nc(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)c2cccc(Cl)c2)c(-c2cccc(F)c2)s1- InChIKey
BUEJDIDYVNAFKL-JCGIZDLHSA-N- Molecular formula
- C23H20ClFN4O2S
- Average molar mass
- 470.9 g/mol
Names & identifiers
- Preferred name
- N-{(1S,2S,5R)-3-[2-Amino-5-(3-fluoro-phenyl)-thiazole-4-carbonyl]-3-aza-bicyclo[3.1.0]hex-2-ylmethyl}-3-chloro-benzamide
- IUPAC
- N-[[(1S,2S,5R)-3-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-3-chlorobenzamide
Names & synonyms
SCHEMBL1340493BUEJDIDYVNAFKL-JCGIZDLHSA-NN-{(1S,2S,5R)-3-[2-Amino-5-(3-fluoro-phenyl)-thiazole-4-carbonyl]-3-aza-bicyclo[3.1.0]hex-2-ylmethyl}-3-chloro-benzamide
Database identifiers
- PubChem CID
- 25182829
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 732
Related reactions
1 records
Compound notes
Loading…