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827598-52-7 | Benzamide, N-(4,5-dihydro-2-methylthiazolo[4,5-h]quinazolin-8-yl)-
CAS No: 827598-52-7 Catalog No: AG004UCQ MDL No:
Product Description
Catalog Number:
AG004UCQ
Chemical Name:
Benzamide, N-(4,5-dihydro-2-methylthiazolo[4,5-h]quinazolin-8-yl)-
CAS Number:
827598-52-7
Molecular Formula:
C17H14N4OS
Molecular Weight:
322.3843
IUPAC Name:
N-(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)benzamide
InChI:
InChI=1S/C17H14N4OS/c1-10-19-13-8-7-12-9-18-17(20-14(12)15(13)23-10)21-16(22)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,18,20,21,22)
InChI Key:
NVQLDWAEGZHQKB-UHFFFAOYSA-N
SMILES:
Cc1nc2c(s1)c1nc(ncc1CC2)NC(=O)c1ccccc1
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.089g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.386g/mol
Monoisotopic Mass:
322.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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