AC1N8R9D structure

AC1N8R9D

2-[(11,11-dimethyl-7-phenyl-12-oxa-3,4,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide

Also Known As: 2-((8,8-dimethyl-5-phenyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-methoxyphenyl)acetamide|2-(7,7-Dimethyl-4-phenyl-6,9-dihydro-7H-8-oxa-1,2,3a,5-tetraaza-cyclopenta[a]naphthalen-3-ylsulfanyl)-N-(4-methoxy-phenyl)-acetamide|2-[(8,8-dimethyl-5-phenyl-7,10-dihydro-8H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide

CAS: 836635-17-7
Molecular Formula C25H25N5O3S
Molecular Weight 475.16782 g/mol
LogP 4.382
Topological Polar Surface Area 90.64 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
Rotatable Bonds 6
Exact Mass 475.16782
Monoisotopic Mass 475.16782
Heavy Atoms 34
Complexity 1336.4324

Chemical Identifiers

CAS Number 836635-17-7
SMILES CC1(CC2=C(CO1)C3=NN=C(N3C(=N2)C4=CC=CC=C4)SCC(=O)NC5=CC=C(C=C5)OC)C

Product Overview

AC1N8R9D (CAS 836635-17-7), with molecular formula C25H25N5O3S and molecular weight 475.16782 g/mol. IUPAC: 2-[(11,11-dimethyl-7-phenyl-12-oxa-3,4,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide.

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