AC1NCAC1 structure

AC1NCAC1

N-(furan-2-ylmethyl)-2-[[3-oxo-4-(2-phenylethyl)-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetamide

Also Known As: AJ-292/41342170|N-(2-furylmethyl)-2-{[6-isopropyl-4-oxo-3-(2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide|N-(furan-2-ylmethyl)-2-((6-isopropyl-4-oxo-3-phenethyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide|N-(furan-2-ylmethyl)-2-{[4-oxo-3-(2-phenylethyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide

CAS: 488716-83-2
Molecular Formula C27H29N3O4S2
Molecular Weight 523.16 g/mol
LogP 4.7995
Topological Polar Surface Area 86.36 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
Rotatable Bonds 9
Exact Mass 523.16
Monoisotopic Mass 523.16
Heavy Atoms 36
Complexity 1394.1653

Chemical Identifiers

CAS Number 488716-83-2
SMILES CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC(=O)NCC4=CC=CO4)CCC5=CC=CC=C5

Product Overview

AC1NCAC1 (CAS 488716-83-2), with molecular formula C27H29N3O4S2 and molecular weight 523.16 g/mol. IUPAC: N-(furan-2-ylmethyl)-2-[[3-oxo-4-(2-phenylethyl)-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetamide.

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