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247565-03-3 | 2(1H)-Quinazolinone, 6-chloro-3,4-dihydro-4-hydroxy-3-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-, (4S)-
CAS No: 247565-03-3 Catalog No: AG002PC4 MDL No:
Product Description
Catalog Number:
AG002PC4
Chemical Name:
2(1H)-Quinazolinone, 6-chloro-3,4-dihydro-4-hydroxy-3-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-, (4S)-
CAS Number:
247565-03-3
Molecular Formula:
C17H14ClF3N2O2
Molecular Weight:
370.7535
IUPAC Name:
(4S)-6-chloro-4-hydroxy-3-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-1H-quinazolin-2-one
InChI:
InChI=1S/C17H14ClF3N2O2/c1-10(11-5-3-2-4-6-11)23-15(24)22-14-8-7-12(18)9-13(14)16(23,25)17(19,20)21/h2-10,25H,1H3,(H,22,24)/t10-,16+/m1/s1
InChI Key:
YAJQCUWQFWPARC-HWPZZCPQSA-N
SMILES:
Clc1ccc2c(c1)[C@@](O)(N(C(=O)N2)[C@@H](c1ccccc1)C)C(F)(F)F
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
370.07g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
370.756g/mol
Monoisotopic Mass:
370.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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