AC1L80LX structure

AC1L80LX

ethyl 2-[[2-(2-benzamidoethyl)-1,3-thiazole-4-carbonyl]amino]-3-tritylsulfanylpropanoate

Also Known As: ethyl 2-[[2-(2-benzamidoethyl)-1,3-thiazole-4-carbonyl]amino]-3-tritylsulfanylpropanoate|Ethyl N-[2-(2-benzamidoethyl)-1,3-thiazole-4-carbonyl]-S-(triphenylmethyl)cysteinate

CAS: 64949-91-3
Molecular Formula C37H35N3O4S2
Molecular Weight 649.2069 g/mol
LogP 7.5
Topological Polar Surface Area 151.0 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
Rotatable Bonds 15
Exact Mass 649.2069
Monoisotopic Mass 649.2069
Heavy Atoms 46
Complexity 913.0

Chemical Identifiers

CAS Number 64949-91-3
SMILES CCOC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C4=CSC(=N4)CCNC(=O)C5=CC=CC=C5
InChIKey OFAIWYIMSPBJQO-UHFFFAOYSA-N

Product Overview

AC1L80LX (CAS 64949-91-3), with molecular formula C37H35N3O4S2 and molecular weight 649.2069 g/mol. IUPAC: ethyl 2-[[2-(2-benzamidoethyl)-1,3-thiazole-4-carbonyl]amino]-3-tritylsulfanylpropanoate.

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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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