AC1LXX94 structure

AC1LXX94

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

Also Known As: 2-{[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide|2-((6,6-dimethyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(3-methoxyphenyl)acetamide

CAS: 799807-90-2
Molecular Formula C21H23N3O3S3
Molecular Weight 461.09015 g/mol
LogP 5.0039
Topological Polar Surface Area 73.34 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 8
Rotatable Bonds 6
Exact Mass 461.09015
Monoisotopic Mass 461.09015
Heavy Atoms 30
Complexity 1097.7804

Chemical Identifiers

CAS Number 799807-90-2
SMILES CC1(CC2=C(CO1)SC3=C2C(=NC(=N3)SC)SCC(=O)NC4=CC(=CC=C4)OC)C

Product Overview

AC1LXX94 (CAS 799807-90-2), with molecular formula C21H23N3O3S3 and molecular weight 461.09015 g/mol. IUPAC: 2-[(12,12-dimethyl-5-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide.

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