Ono-5334
N-[(1S)-3-[(2Z)-2-[(4R)-3,4-dimethyl-1,3-thiazolidin-2-ylidene]hydrazinyl]-1-(oxan-4-yl)-2,3-dioxopropyl]cycloheptanecarboxamide
Molecular Identity
Ono-5334
N-[(1S)-3-[(2Z)-2-[(4R)-3,4-dimethyl-1,3-thiazolidin-2-ylidene]hydrazinyl]-1-(oxan-4-yl)-2,3-dioxopropyl]cycloheptanecarboxamide
PubChem CID: 11582982
2D Structure
Properties
C21H34N4O4S
Molecular Formula
438.60
Molecular Weight
g/mol
438.2301
Exact Mass
Da
3.1
XLogP
Drug-like (Lipinski: < 5)
125
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
657
Complexity
SMILES
Canonical SMILES
SMILES: CC1CSC(=NNC(=O)C(=O)C(C2CCOCC2)NC(=O)C3CCCCCC3)N1CIsomeric SMILES
SMILES: C[C@@H]1CS/C(=N\NC(=O)C(=O)[C@H](C2CCOCC2)NC(=O)C3CCCCCC3)/N1CSynonyms(20)
ONO-5334868273-90-99TDN93L9FNN-[(1S)-3-[(2Z)-2-[(4R)-3,4-Dimethyl-1,3-thiazolidin-2-ylidene]hydrazinyl]-1-(oxan-4-yl)-2,3-dioxopropyl]cycloheptanecarboxamideN-((1S)-3-((2Z)-2-((4R)-3,4-dimethyl-1,3-thiazolidin-2-ylidene)hydrazinyl)-1-(oxan-4-yl)-2,3-dioxopropyl)cycloheptanecarboxamideRefChem:168280UNII-9TDN93L9FNONO 5334620614-15-5N-((1S)-3-((2Z)-2-((4R)-3,4-Dimethyl-1,3-thiazolidin-2-ylidene)hydrazino)-2,3-dioxo-1-(tetrahydro-2H-pyran-4yl)propyl)cycloheptanecarboxamideONO5334N-((1s)-3-((2z)-2-((4r)-3,4-dimethyl-1,3-thiazolidin-2-ylidene) hydrazino)-2,3-dioxo-1-(tetrahydro-2h-pyran-4-yl)propyl)cycloheptane carboxamideN-((1s)-3-{(2z)-2-((4r)-3,4-dimethyl-1,3-thiazolidin-2-ylidene) hydrazino}-2,3-dioxo-1-(tetrahydro-2h-pyran-4-yl)propyl)cycloheptane carboxamideCID 11582982orb1706872
Data from PubChem (NCBI)
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