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1420627-35-5 | 4(3H)-Quinazolinone, 2-[(1S)-1-aminoethyl]-5-chloro-3-phenyl-
CAS No: 1420627-35-5 Catalog No: AG001HOC MDL No:
Product Description
Catalog Number:
AG001HOC
Chemical Name:
4(3H)-Quinazolinone, 2-[(1S)-1-aminoethyl]-5-chloro-3-phenyl-
CAS Number:
1420627-35-5
Molecular Formula:
C16H14ClN3O
Molecular Weight:
299.7549
IUPAC Name:
2-[(1S)-1-aminoethyl]-5-chloro-3-phenylquinazolin-4-one
InChI:
InChI=1S/C16H14ClN3O/c1-10(18)15-19-13-9-5-8-12(17)14(13)16(21)20(15)11-6-3-2-4-7-11/h2-10H,18H2,1H3/t10-/m0/s1
InChI Key:
BRTIHPMUDVKVLP-JTQLQIEISA-N
SMILES:
Clc1cccc2c1c(=O)n(c(n2)[C@@H](N)C)c1ccccc1
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
299.083g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.758g/mol
Monoisotopic Mass:
299.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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