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88964-55-0 | 2-Pyrimidinamine, N-(4,5-diphenyl-2-thiazolyl)-1,4,5,6-tetrahydro-
CAS No: 88964-55-0 Catalog No: AG0045X4 MDL No:
Product Description
Catalog Number:
AG0045X4
Chemical Name:
2-Pyrimidinamine, N-(4,5-diphenyl-2-thiazolyl)-1,4,5,6-tetrahydro-
CAS Number:
88964-55-0
Molecular Formula:
C19H18N4S
Molecular Weight:
334.4380
IUPAC Name:
4,5-diphenyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
InChI:
InChI=1S/C19H18N4S/c1-3-8-14(9-4-1)16-17(15-10-5-2-6-11-15)24-19(22-16)23-18-20-12-7-13-21-18/h1-6,8-11H,7,12-13H2,(H2,20,21,22,23)
InChI Key:
LKZDTQOTPHYMRQ-UHFFFAOYSA-N
SMILES:
C1CNC(=NC1)Nc1nc(c(s1)c1ccccc1)c1ccccc1
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.125g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
334.441g/mol
Monoisotopic Mass:
334.125g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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