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1556448-76-0 | N-(benzo[d]thiazol-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CAS No: 1556448-76-0 Catalog No: AG01BK9K MDL No:MFCD25567579
Product Description
Catalog Number:
AG01BK9K
Chemical Name:
N-(benzo[d]thiazol-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CAS Number:
1556448-76-0
Molecular Formula:
C13H13N3O2S
Molecular Weight:
275.3262
MDL Number:
MFCD25567579
IUPAC Name:
N-(1,3-benzothiazol-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
InChI:
InChI=1S/C13H13N3O2S/c17-11-5-8(6-14-11)13(18)15-7-12-16-9-3-1-2-4-10(9)19-12/h1-4,8H,5-7H2,(H,14,17)(H,15,18)
InChI Key:
MJKYPXVYRAEOBH-UHFFFAOYSA-N
SMILES:
O=C1NCC(C1)C(=O)NCc1nc2c(s1)cccc2
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.073g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
275.326g/mol
Monoisotopic Mass:
275.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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