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145066-23-5 | 2,4(1H,3H)-Quinazolinedione, 6-(1,1-dimethylethyl)-5,6,7,8-tetrahydro-1-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-
CAS No: 145066-23-5 Catalog No: AG001KIS MDL No:
Product Description
Catalog Number:
AG001KIS
Chemical Name:
2,4(1H,3H)-Quinazolinedione, 6-(1,1-dimethylethyl)-5,6,7,8-tetrahydro-1-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-
CAS Number:
145066-23-5
Molecular Formula:
C16H26N2O5
Molecular Weight:
326.3880
IUPAC Name:
6-tert-butyl-1-(1,3-dihydroxypropan-2-yloxymethyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione
InChI:
InChI=1S/C16H26N2O5/c1-16(2,3)10-4-5-13-12(6-10)14(21)17-15(22)18(13)9-23-11(7-19)8-20/h10-11,19-20H,4-9H2,1-3H3,(H,17,21,22)
InChI Key:
OPDRCPMCPCCDES-UHFFFAOYSA-N
SMILES:
OCC(OCn1c(=O)[nH]c(=O)c2c1CCC(C2)C(C)(C)C)CO
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.184g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
326.393g/mol
Monoisotopic Mass:
326.184g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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