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22916-54-7 | Thiazolo[3,2-a]benzimidazol-3(2H)-one, 2-[(dipropylamino)methyl]-
CAS No: 22916-54-7 Catalog No: AG002LH1 MDL No:
Product Description
Catalog Number:
AG002LH1
Chemical Name:
Thiazolo[3,2-a]benzimidazol-3(2H)-one, 2-[(dipropylamino)methyl]-
CAS Number:
22916-54-7
Molecular Formula:
C16H21N3OS
Molecular Weight:
303.4224
IUPAC Name:
2-[(dipropylamino)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
InChI:
InChI=1S/C16H21N3OS/c1-3-9-18(10-4-2)11-14-15(20)19-13-8-6-5-7-12(13)17-16(19)21-14/h5-8,14H,3-4,9-11H2,1-2H3
InChI Key:
PZBSJGWNLUCYPX-UHFFFAOYSA-N
SMILES:
CCCN(CC1Sc2n(C1=O)c1c(n2)cccc1)CCC
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.141g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.424g/mol
Monoisotopic Mass:
303.141g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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