Dnk 333
N-[(E,2R)-1-(3,4-dichlorophenyl)-5-oxo-5-[[(3R)-2-oxoazepan-3-yl]amino]pent-3-en-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
Molecular Identity
Dnk 333
N-[(E,2R)-1-(3,4-dichlorophenyl)-5-oxo-5-[[(3R)-2-oxoazepan-3-yl]amino]pent-3-en-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
PubChem CID: 9939040
2D Structure
Properties
C27H25Cl2F6N3O3
Molecular Formula
624.40
Molecular Weight
g/mol
623.1177
Exact Mass
Da
6.2
XLogP
Above Lipinski threshold
78.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
9
H-Bond Acceptors
942
Complexity
SMILES
Canonical SMILES
SMILES: CN(C(CC1=CC(=C(C=C1)Cl)Cl)C=CC(=O)NC2CCCCNC2=O)C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)FIsomeric SMILES
SMILES: CN([C@H](CC1=CC(=C(C=C1)Cl)Cl)/C=C/C(=O)N[C@@H]2CCCCNC2=O)C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)FSynonyms(20)
DNK333DNK-333398507-81-8G9BL4978MZDNK 333Benzamide, N-((1R,2E)-1-((3,4-dichlorophenyl)methyl)-4-(((3R)-hexahydro-2-oxo-1H-azepin-3-yl)amino)-4-oxo-2-butenyl)-N-methyl-3,5-bis(trifluoromethyl)-N-((R,R)-(E)-1-(3,4-Dichlorobenzyl)-3-(2-oxoazepan-3-yl)carbamoyl)allyl-N-methyl-3,5-bis(trifluoromethyl)benzamideDTXSID30192907RefChem:135335DTXCID30115398UNII-G9BL4978MZCHEMBL105060N-[(E)-(R)-1-(3,4-Dichloro-benzyl)-3-((R)-2-oxo-azepan-3-ylcarbamoyl)-allyl]-N-methyl-3,5-bis-trifluoromethyl-benzamideSCHEMBL868320orb1740185
Data from PubChem (NCBI)
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