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828921-01-3 | Ethanone, 2-[[4-chloro-5-(1-pyrrolidinyl)-2-thiazolyl]amino]-1-phenyl-
CAS No: 828921-01-3 Catalog No: AG004RXF MDL No:
Product Description
Catalog Number:
AG004RXF
Chemical Name:
Ethanone, 2-[[4-chloro-5-(1-pyrrolidinyl)-2-thiazolyl]amino]-1-phenyl-
CAS Number:
828921-01-3
Molecular Formula:
C15H16ClN3OS
Molecular Weight:
321.8250
IUPAC Name:
2-[(4-chloro-5-pyrrolidin-1-yl-1,3-thiazol-2-yl)amino]-1-phenylethanone
InChI:
InChI=1S/C15H16ClN3OS/c16-13-14(19-8-4-5-9-19)21-15(18-13)17-10-12(20)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,17,18)
InChI Key:
ZVTVHMAWPSDKEB-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CNc1nc(c(s1)N1CCCC1)Cl
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.07g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.823g/mol
Monoisotopic Mass:
321.07g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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