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1078162-93-2 | N-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide hydrochloride
CAS No: 1078162-93-2 Catalog No: AG019LGB MDL No:MFCD09971410
Product Description
Catalog Number:
AG019LGB
Chemical Name:
N-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide hydrochloride
CAS Number:
1078162-93-2
Molecular Formula:
C12H14ClN3OS
Molecular Weight:
283.7771
MDL Number:
MFCD09971410
IUPAC Name:
N-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride
InChI:
InChI=1S/C12H13N3OS.ClH/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);1H
InChI Key:
FMSASSBIISVGDY-UHFFFAOYSA-N
SMILES:
O=C(C1CCCN1)Nc1nc2c(s1)cccc2.Cl
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.055g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
283.774g/mol
Monoisotopic Mass:
283.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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