Gsk2982772
5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
Molecular Identity
Gsk2982772
5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
PubChem CID: 77108121
2D Structure
Properties
C20H19N5O3
Molecular Formula
377.40
Molecular Weight
g/mol
377.1488
Exact Mass
Da
2.4
XLogP
Drug-like (Lipinski: < 5)
100
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
568
Complexity
SMILES
Canonical SMILES
SMILES: CN1C2=CC=CC=C2OCC(C1=O)NC(=O)C3=NNC(=N3)CC4=CC=CC=C4Isomeric SMILES
SMILES: CN1C2=CC=CC=C2OC[C@@H](C1=O)NC(=O)C3=NNC(=N3)CC4=CC=CC=C4Synonyms(20)
GSK29827725-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide5-benzyl-N-((3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-1H-1,2,4-triazole-3-carboxamideRefChem:9225511622848-92-3GSK-2982772(S)-5-benzyl-N-(5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-1H-1,2,4-triazole-3-carboxamide(S)-3-benzyl-N-(5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-1H-1,2,4-triazole-5-carboxamideC20H19N5O3MFCD30828708GSK 2982772T5W3M0VO9B(S)-5-benzyl-N-(5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-4H-1,2,4-triazole-3-carboxamide3-Benzyl-N-[(3s)-5-Methyl-4-Oxo-2,3,4,5-Tetrahydro-1,5-Benzoxazepin-3-Yl]-1h-1,2,4-Triazole-5-CarboxamideCHEMBL4071864
Data from PubChem (NCBI)
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