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333784-81-9 | N-Butyl-2-(4-trifluoromethyl-5,6-dihydro-benzo[h]quinazolin-2-ylsulfanyl)-acetamide
CAS No: 333784-81-9 Catalog No: AG01F3M8 MDL No:
Product Description
Catalog Number:
AG01F3M8
Chemical Name:
N-Butyl-2-(4-trifluoromethyl-5,6-dihydro-benzo[h]quinazolin-2-ylsulfanyl)-acetamide
CAS Number:
333784-81-9
Molecular Formula:
C19H20F3N3OS
Molecular Weight:
395.4418
IUPAC Name:
N-butyl-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]acetamide
InChI:
InChI=1S/C19H20F3N3OS/c1-2-3-10-23-15(26)11-27-18-24-16-13-7-5-4-6-12(13)8-9-14(16)17(25-18)19(20,21)22/h4-7H,2-3,8-11H2,1H3,(H,23,26)
InChI Key:
GIBINFBQYWVTOU-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)CSc1nc2c3ccccc3CCc2c(n1)C(F)(F)F
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.128g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
395.444g/mol
Monoisotopic Mass:
395.128g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
80.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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