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307341-55-5 | 4H-Cyclopenta[b]thiophene-3-carboxylic acid, 2-(benzoylamino)-5,6-dihydro-
CAS No: 307341-55-5 Catalog No: AG00312P MDL No:MFCD01121930
Product Description
Catalog Number:
AG00312P
Chemical Name:
4H-Cyclopenta[b]thiophene-3-carboxylic acid, 2-(benzoylamino)-5,6-dihydro-
CAS Number:
307341-55-5
Molecular Formula:
C15H13NO3S
Molecular Weight:
287.3336
MDL Number:
MFCD01121930
IUPAC Name:
2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
InChI:
InChI=1S/C15H13NO3S/c17-13(9-5-2-1-3-6-9)16-14-12(15(18)19)10-7-4-8-11(10)20-14/h1-3,5-6H,4,7-8H2,(H,16,17)(H,18,19)
InChI Key:
JEEWRTJYBDZVBA-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1sc2c(c1C(=O)O)CCC2
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.062g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
287.333g/mol
Monoisotopic Mass:
287.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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