AC1NKEY7

2-[(12-ethyl-12-methyl-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-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(3-methoxyphenyl)acetamide|2-{[6-ethyl-6-methyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide

Molecular Formula	C22H25N3O3S3
Molecular Weight	475.1058 g/mol
LogP	5.394
Topological Polar Surface Area	73.34 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	7
Exact Mass	475.1058
Monoisotopic Mass	475.1058
Heavy Atoms	31
Complexity	1118.0645

Chemical Identifiers

CAS Number	902022-75-7
SMILES	CCC1(CC2=C(CO1)SC3=C2C(=NC(=N3)SC)SCC(=O)NC4=CC(=CC=C4)OC)C