AC1OANTM structure

AC1OANTM

2-(1-adamantyl)-N-[[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide

Also Known As: 2-(1-adamantyl)-N-[[4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]acetamide|N-{[4-(5-Methyl-1,3-benzoxazol-2(3H)-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]decan-1-yl)acetamide|2-(1-adamantyl)-N-[[(4E)-4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]acetamide|2-(Adamantan-1-yl)-N-{[4-(5-methyl-1,3-benzoxazol-2(3H)-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl}acetamide|N-{[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide|TRICYCLO[3.3.1.13,7]DECANE-1-ACETAMIDE, N-[[[3-HYDROXY-4-(5-METHYL-2-BENZOXAZOLYL)PHENYL]AMINO]THIOXOMETHYL]-

CAS: 593238-71-2
Molecular Formula C27H29N3O3S
Molecular Weight 475.19296 g/mol
LogP 5.92832
Topological Polar Surface Area 87.39 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
Rotatable Bonds 4
Exact Mass 475.19296
Monoisotopic Mass 475.19296
Heavy Atoms 34
Complexity 1262.2281

Chemical Identifiers

CAS Number 593238-71-2
SMILES CC1=CC2=C(C=C1)OC(=N2)C3=C(C=C(C=C3)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5)O

Product Overview

AC1OANTM (CAS 593238-71-2), with molecular formula C27H29N3O3S and molecular weight 475.19296 g/mol. IUPAC: 2-(1-adamantyl)-N-[[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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