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87431-61-6 | 1,3,4-Thiadiazol-2-amine, 5-[3-(3,4-dichlorophenoxy)propyl]-N-phenyl-
CAS No: 87431-61-6 Catalog No: AG004FYD MDL No:
Product Description
Catalog Number:
AG004FYD
Chemical Name:
1,3,4-Thiadiazol-2-amine, 5-[3-(3,4-dichlorophenoxy)propyl]-N-phenyl-
CAS Number:
87431-61-6
Molecular Formula:
C17H15Cl2N3OS
Molecular Weight:
380.2915
IUPAC Name:
5-[3-(3,4-dichlorophenoxy)propyl]-N-phenyl-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C17H15Cl2N3OS/c18-14-9-8-13(11-15(14)19)23-10-4-7-16-21-22-17(24-16)20-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2,(H,20,22)
InChI Key:
KFYSHUOQQGHVFQ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1Cl)OCCCc1nnc(s1)Nc1ccccc1
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.031g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.287g/mol
Monoisotopic Mass:
379.031g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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