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84571-02-8 | Quinazoline, 6-chloro-1,2,3,4-tetrahydro-2-(5-methyl-2-thienyl)-4-phenyl-
CAS No: 84571-02-8 Catalog No: AG004UOF MDL No:
Product Description
Catalog Number:
AG004UOF
Chemical Name:
Quinazoline, 6-chloro-1,2,3,4-tetrahydro-2-(5-methyl-2-thienyl)-4-phenyl-
CAS Number:
84571-02-8
Molecular Formula:
C19H17ClN2S
Molecular Weight:
340.8697
IUPAC Name:
6-chloro-2-(5-methylthiophen-2-yl)-4-phenyl-1,2,3,4-tetrahydroquinazoline
InChI:
InChI=1S/C19H17ClN2S/c1-12-7-10-17(23-12)19-21-16-9-8-14(20)11-15(16)18(22-19)13-5-3-2-4-6-13/h2-11,18-19,21-22H,1H3
InChI Key:
KQCQPYSAPGKHNZ-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C(NC(N2)c1ccc(s1)C)c1ccccc1
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.08g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
340.869g/mol
Monoisotopic Mass:
340.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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