3-Bromo-N-{(1S,2S,5R)-3-[5-(3-chloro-phenyl)-2-methyl-thiazole-4-carbonyl]-3-aza-bicyclo[3.1.0]hex-2-ylmethyl}-benzamide
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
Cc1nc(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)c2cccc(Br)c2)c(-c2cccc(Cl)c2)s1- InChIKey
IOLHUMDCKYELQS-FFZOFVMBSA-N- Molecular formula
- C24H21BrClN3O2S
- Average molar mass
- 530.9 g/mol
- Monoisotopic mass
- 529.02264
Names & identifiers
- Preferred name
- 3-Bromo-N-{(1S,2S,5R)-3-[5-(3-chloro-phenyl)-2-methyl-thiazole-4-carbonyl]-3-aza-bicyclo[3.1.0]hex-2-ylmethyl}-benzamide
- IUPAC
- 3-bromo-N-[[(1S,2S,5R)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]benzamide
Names & synonyms
SCHEMBL1339785IOLHUMDCKYELQS-FFZOFVMBSA-N3-Bromo-N-{(1S,2S,5R)-3-[5-(3-chloro-phenyl)-2-methyl-thiazole-4-carbonyl]-3-aza-bicyclo[3.1.0]hex-2-ylmethyl}-benzamide
Database identifiers
- PubChem CID
- 25181981
Properties
Computed structural propertiesFilling in
- XLogP
- 5.6
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 729
Related reactions
1 records
Compound notes
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