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1240361-06-1 | Benzo[b]thiophene-3-carboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4,5,6,7-tetrahydro-
CAS No: 1240361-06-1 Catalog No: AG000LFT MDL No:MFCD19441940
Product Description
Catalog Number:
AG000LFT
Chemical Name:
Benzo[b]thiophene-3-carboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4,5,6,7-tetrahydro-
CAS Number:
1240361-06-1
Molecular Formula:
C14H19NO4S
Molecular Weight:
297.3700
MDL Number:
MFCD19441940
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
InChI:
InChI=1S/C14H19NO4S/c1-14(2,3)19-13(18)15-11-10(12(16)17)8-6-4-5-7-9(8)20-11/h4-7H2,1-3H3,(H,15,18)(H,16,17)
InChI Key:
CEVUYHUWKGOINS-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1sc2c(c1C(=O)O)CCCC2
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.103g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
297.369g/mol
Monoisotopic Mass:
297.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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