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1190391-84-4 | 4-Benzothiazolecarboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4,5,6,7-tetrahydro-
CAS No: 1190391-84-4 Catalog No: AG000I3T MDL No:
Product Description
Catalog Number:
AG000I3T
Chemical Name:
4-Benzothiazolecarboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4,5,6,7-tetrahydro-
CAS Number:
1190391-84-4
Molecular Formula:
C13H18N2O4S
Molecular Weight:
298.3580
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonylamino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid
InChI:
InChI=1S/C13H18N2O4S/c1-13(2,3)19-12(18)15-11-14-9-7(10(16)17)5-4-6-8(9)20-11/h7H,4-6H2,1-3H3,(H,16,17)(H,14,15,18)
InChI Key:
QQAPPTIFMLODJN-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1nc2c(s1)CCCC2C(=O)O
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.099g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.357g/mol
Monoisotopic Mass:
298.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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