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478257-02-2 | 4-(1,3-benzothiazol-2-yl)-N-(propan-2-yl)piperidine-1-carboxamide
CAS No: 478257-02-2 Catalog No: AG00ISEQ MDL No:MFCD02102799
Product Description
Catalog Number:
AG00ISEQ
Chemical Name:
4-(1,3-benzothiazol-2-yl)-N-(propan-2-yl)piperidine-1-carboxamide
CAS Number:
478257-02-2
Molecular Formula:
C16H21N3OS
Molecular Weight:
303.4224
MDL Number:
MFCD02102799
IUPAC Name:
4-(1,3-benzothiazol-2-yl)-N-propan-2-ylpiperidine-1-carboxamide
InChI:
InChI=1S/C16H21N3OS/c1-11(2)17-16(20)19-9-7-12(8-10-19)15-18-13-5-3-4-6-14(13)21-15/h3-6,11-12H,7-10H2,1-2H3,(H,17,20)
InChI Key:
CSBMRJPMRGRMIL-UHFFFAOYSA-N
SMILES:
CC(NC(=O)N1CCC(CC1)c1nc2c(s1)cccc2)C
Properties
Complexity:
369
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:
2
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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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