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138429-09-1 | 5H-Thiazolo[3,2-a]pyrimidin-3(2H)-one, 2-methyl-5,7-diphenyl-
CAS No: 138429-09-1 Catalog No: AG00195A MDL No:
Product Description
Catalog Number:
AG00195A
Chemical Name:
5H-Thiazolo[3,2-a]pyrimidin-3(2H)-one, 2-methyl-5,7-diphenyl-
CAS Number:
138429-09-1
Molecular Formula:
C19H16N2OS
Molecular Weight:
320.4081
IUPAC Name:
2-methyl-5,7-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
InChI:
InChI=1S/C19H16N2OS/c1-13-18(22)21-17(15-10-6-3-7-11-15)12-16(20-19(21)23-13)14-8-4-2-5-9-14/h2-13,17H,1H3
InChI Key:
LXFYBDKTKRYFRO-UHFFFAOYSA-N
SMILES:
O=C1C(C)SC2=NC(=CC(N12)c1ccccc1)c1ccccc1
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.098g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.41g/mol
Monoisotopic Mass:
320.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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