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1078791-18-0 | N-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CAS No: 1078791-18-0 Catalog No: AG01A74Y MDL No:MFCD09950351
Product Description
Catalog Number:
AG01A74Y
Chemical Name:
N-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CAS Number:
1078791-18-0
Molecular Formula:
C12H13N3OS
Molecular Weight:
247.3161
MDL Number:
MFCD09950351
IUPAC Name:
N-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
InChI:
InChI=1S/C12H13N3OS/c16-11(9-5-3-7-13-9)15-12-14-8-4-1-2-6-10(8)17-12/h1-2,4,6,9,13H,3,5,7H2,(H,14,15,16)
InChI Key:
BYZCRWPMTZKDIH-UHFFFAOYSA-N
SMILES:
O=C(C1CCCN1)Nc1nc2c(s1)cccc2
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.316g/mol
Monoisotopic Mass:
247.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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