Brensocatib
(2S)-N-[(1S)-1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-1,4-oxazepane-2-carboxamide
Molecular Identity
Brensocatib
(2S)-N-[(1S)-1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-1,4-oxazepane-2-carboxamide
PubChem CID: 118253852
2D Structure
Properties
C23H24N4O4
Molecular Formula
420.50
Molecular Weight
g/mol
420.1798
Exact Mass
Da
2
XLogP
Drug-like (Lipinski: < 5)
104
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
699
Complexity
SMILES
Canonical SMILES
SMILES: CN1C2=C(C=CC(=C2)C3=CC=C(C=C3)CC(C#N)NC(=O)C4CNCCCO4)OC1=OIsomeric SMILES
SMILES: CN1C2=C(C=CC(=C2)C3=CC=C(C=C3)C[C@@H](C#N)NC(=O)[C@@H]4CNCCCO4)OC1=OSynonyms(20)
brensocatib1802148-05-5AZD7986INS1007AZD 7986AZD-7986INS-100725CG88L0BBINS 1007(S)-N-((S)-1-Cyano-2-(4-(3-methyl-2-oxo-2,3-dihydrobenzo-(d)oxazol-5-yl)phenyl)ethyl)-1,4-oxazepane-2-carboxamide1,4-Oxazepine-2-carboxamide, N-((1S)-1-cyano-2-(4-(2,3-dihydro-3-methyl-2-oxo-5-benzoxazolyl)phenyl)ethyl)hexahydro-, (2S)-(2S)-N-((1S)-1-cyano-2-(4-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)phenyl)ethyl)-1,4-oxazepane-2-carboxamide(2S)-N-{(1S)-1-Cyano-2-[4-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)phenyl]ethyl}-1,4-oxazepane-2-carboxamideRefChem:121325(S)-N-((S)-1-cyano-2-(4-(3-methyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)phenyl)ethyl)-1,4-oxazepane-2-carboxamide
Data from PubChem (NCBI)
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