AC1LDF3W structure

AC1LDF3W

2-[4-[8-(2-methylpropyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl]piperazin-1-yl]ethanol

Also Known As: 2-(4-(5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-yl)piperazin-1-yl)ethanol|2-{4-[5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-yl]piperazin-1-yl}ethanol

CAS: 896594-14-2
Molecular Formula C23H31N5O2
Molecular Weight 409.24777 g/mol
LogP 3.9
Topological Polar Surface Area 78.5 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
Rotatable Bonds 5
Exact Mass 409.24777
Monoisotopic Mass 409.24777
Heavy Atoms 30
Complexity 570.0

Chemical Identifiers

CAS Number 896594-14-2
SMILES CC(C)CC1=NC2=C(C3=C1CCCC3)C4=C(O2)C(=NC=N4)N5CCN(CC5)CCO
InChIKey HGGMUJQISMOGSR-UHFFFAOYSA-N

Product Overview

AC1LDF3W (CAS 896594-14-2), with molecular formula C23H31N5O2 and molecular weight 409.24777 g/mol. IUPAC: 2-[4-[8-(2-methylpropyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl]piperazin-1-yl]ethanol.

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