Abt-072
N-[4-[(E)-2-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]ethenyl]phenyl]methanesulfonamide
Molecular Identity
Abt-072
N-[4-[(E)-2-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]ethenyl]phenyl]methanesulfonamide
PubChem CID: 57775240
2D Structure
Properties
C24H27N3O5S
Molecular Formula
469.60
Molecular Weight
g/mol
469.1671
Exact Mass
Da
3.6
XLogP
Drug-like (Lipinski: < 5)
113
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
879
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C)C1=CC(=CC(=C1OC)C=CC2=CC=C(C=C2)NS(=O)(=O)C)N3C=CC(=O)NC3=OIsomeric SMILES
SMILES: CC(C)(C)C1=CC(=CC(=C1OC)/C=C/C2=CC=C(C=C2)NS(=O)(=O)C)N3C=CC(=O)NC3=OSynonyms(20)
ABT-0721132936-00-5PSQ4R5K1QIABT072ABT 072Methanesulfonamide, N-(4-((1E)-2-(5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-3-(1,1-dimethylethyl)-2-methoxyphenyl)ethenyl)phenyl)-Methanesulfonamide, N-[4-[(1E)-2-[5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-3-(1,1-dimethylethyl)-2-methoxyphenyl]ethenyl]phenyl]-RefChem:108562N-(4-((1E)-2-(3-tert-butyl-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-methoxyphenyl)ethenyl)phenyl)methanesulfonamide(E)-N-(4-(3-(tert-Butyl)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxystyryl)phenyl)methanesulfonamideN-[4-[(E)-2-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]ethenyl]phenyl]methanesulfonamideUNII-PSQ4R5K1QISCHEMBL479128orb1707728ABT 072 [WHO-DD]
Data from PubChem (NCBI)
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Drug Network
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