AC1N9YXB structure

AC1N9YXB

5-butylsulfanyl-4-(3-methylphenyl)-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

Also Known As: 2-(butylsulfanyl)-3-(3-methylphenyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one|2-(BUTYLSULFANYL)-6-ISOPROPYL-3-(3-METHYLPHENYL)-3,5,6,8-TETRAHYDRO-4H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE|2-(butylthio)-6-isopropyl-3-(m-tolyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one

CAS: 384366-61-4
Molecular Formula C23H28N2O2S2
Molecular Weight 428.1592 g/mol
LogP 5.74512
Topological Polar Surface Area 44.12 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
Rotatable Bonds 6
Exact Mass 428.1592
Monoisotopic Mass 428.1592
Heavy Atoms 29
Complexity 1084.4067

Chemical Identifiers

CAS Number 384366-61-4
SMILES CCCCSC1=NC2=C(C3=C(S2)COC(C3)C(C)C)C(=O)N1C4=CC=CC(=C4)C

Product Overview

AC1N9YXB (CAS 384366-61-4), with molecular formula C23H28N2O2S2 and molecular weight 428.1592 g/mol. IUPAC: 5-butylsulfanyl-4-(3-methylphenyl)-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.

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