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52535-73-6 | 2-(BENZOYLAMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLIC ACID
CAS No: 52535-73-6 Catalog No: AG00DNZ1 MDL No:MFCD00416489
Product Description
Catalog Number:
AG00DNZ1
Chemical Name:
2-(BENZOYLAMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLIC ACID
CAS Number:
52535-73-6
Molecular Formula:
C16H15NO3S
Molecular Weight:
301.3602
MDL Number:
MFCD00416489
IUPAC Name:
2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
InChI:
InChI=1S/C16H15NO3S/c18-14(10-6-2-1-3-7-10)17-15-13(16(19)20)11-8-4-5-9-12(11)21-15/h1-3,6-7H,4-5,8-9H2,(H,17,18)(H,19,20)
InChI Key:
CMYBPWJIHAYXGS-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1sc2c(c1C(=O)O)CCCC2
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.077g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
301.36g/mol
Monoisotopic Mass:
301.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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