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87411-17-4 | 1,3,4-Thiadiazole, 2-[3-(3,4-dichlorophenoxy)propyl]-5-(1-pyrrolidinyl)-
CAS No: 87411-17-4 Catalog No: AG004N5W MDL No:
Product Description
Catalog Number:
AG004N5W
Chemical Name:
1,3,4-Thiadiazole, 2-[3-(3,4-dichlorophenoxy)propyl]-5-(1-pyrrolidinyl)-
CAS Number:
87411-17-4
Molecular Formula:
C15H17Cl2N3OS
Molecular Weight:
358.2860
IUPAC Name:
2-[3-(3,4-dichlorophenoxy)propyl]-5-pyrrolidin-1-yl-1,3,4-thiadiazole
InChI:
InChI=1S/C15H17Cl2N3OS/c16-12-6-5-11(10-13(12)17)21-9-3-4-14-18-19-15(22-14)20-7-1-2-8-20/h5-6,10H,1-4,7-9H2
InChI Key:
IFLKVLNZGUIVCZ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1Cl)OCCCc1nnc(s1)N1CCCC1
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.047g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.281g/mol
Monoisotopic Mass:
357.047g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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