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478256-97-2 | 4-(1,3-benzothiazol-2-yl)-N-propylpiperidine-1-carboxamide
CAS No: 478256-97-2 Catalog No: AG00IR2T MDL No:MFCD02102798
Product Description
Catalog Number:
AG00IR2T
Chemical Name:
4-(1,3-benzothiazol-2-yl)-N-propylpiperidine-1-carboxamide
CAS Number:
478256-97-2
Molecular Formula:
C16H21N3OS
Molecular Weight:
303.4224
MDL Number:
MFCD02102798
IUPAC Name:
4-(1,3-benzothiazol-2-yl)-N-propylpiperidine-1-carboxamide
InChI:
InChI=1S/C16H21N3OS/c1-2-9-17-16(20)19-10-7-12(8-11-19)15-18-13-5-3-4-6-14(13)21-15/h3-6,12H,2,7-11H2,1H3,(H,17,20)
InChI Key:
ZJDRGHQYVQBNNJ-UHFFFAOYSA-N
SMILES:
CCCNC(=O)N1CCC(CC1)c1nc2c(s1)cccc2
Properties
Complexity:
357
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:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.424g/mol
Monoisotopic Mass:
303.141g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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