Basic information
- Standard SMILES
CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NC[C@@H]4CCN(c5ccc(Br)cn5)C4)cc3)oc12- InChIKey
KINQDPROGYJYNN-SFHVURJKSA-N- Molecular formula
- C28H26BrN5O2
- Average molar mass
- 544.4 g/mol
Names & identifiers
- Preferred name
- N-{[(3S)-1-(5-Bromopyridin-2-yl)pyrrolidin-3-yl]methyl}-4-(5-cyano-7-isopropyl-1,3-benzoxazol-2-yl)benzamide
- IUPAC
- N-[[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]methyl]-4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)benzamide
Names & synonyms
SCHEMBL2838498KINQDPROGYJYNN-SFHVURJKSA-NN-{[(3S)-1-(5-Bromopyridin-2-yl)pyrrolidin-3-yl]methyl}-4-(5-cyano-7-isopropyl-1,3-benzoxazol-2-yl)benzamide
Database identifiers
- PubChem CID
- 25152256
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 809
Related reactions
1 records
Compound notes
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