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888314-32-7 | BENZYL 2-(3-(1H-IMIDAZOL-1-YL)-1,2,4-THIADIAZOL-5-YL)PYRROLIDINE-1-CARBOXYLATE
CAS No: 888314-32-7 Catalog No: AG004C3V MDL No:
Product Description
Catalog Number:
AG004C3V
Chemical Name:
BENZYL 2-(3-(1H-IMIDAZOL-1-YL)-1,2,4-THIADIAZOL-5-YL)PYRROLIDINE-1-CARBOXYLATE
CAS Number:
888314-32-7
Molecular Formula:
C17H17N5O2S
Molecular Weight:
355.4142
IUPAC Name:
benzyl 2-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C17H17N5O2S/c23-17(24-11-13-5-2-1-3-6-13)22-9-4-7-14(22)15-19-16(20-25-15)21-10-8-18-12-21/h1-3,5-6,8,10,12,14H,4,7,9,11H2
InChI Key:
PMAZOTAMWTWRFU-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC1c1snc(n1)n1cncc1)OCc1ccccc1
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.11g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.416g/mol
Monoisotopic Mass:
355.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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