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1414854-42-4 | 3-Thiopheneacetamide, N-(1,2-dihydro-1-oxo-6-isoquinolinyl)-α-(dimethylamino)-
CAS No: 1414854-42-4 Catalog No: AG001GGF MDL No:
Product Description
Catalog Number:
AG001GGF
Chemical Name:
3-Thiopheneacetamide, N-(1,2-dihydro-1-oxo-6-isoquinolinyl)-α-(dimethylamino)-
CAS Number:
1414854-42-4
Molecular Formula:
C17H17N3O2S
Molecular Weight:
327.4008
IUPAC Name:
2-(dimethylamino)-N-(1-oxo-2H-isoquinolin-6-yl)-2-thiophen-3-ylacetamide
InChI:
InChI=1S/C17H17N3O2S/c1-20(2)15(12-6-8-23-10-12)17(22)19-13-3-4-14-11(9-13)5-7-18-16(14)21/h3-10,15H,1-2H3,(H,18,21)(H,19,22)
InChI Key:
VDYRZXYYQMMFJW-UHFFFAOYSA-N
SMILES:
CN(C(c1cscc1)C(=O)Nc1ccc2c(c1)cc[nH]c2=O)C
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.104g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
327.402g/mol
Monoisotopic Mass:
327.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Discovery of the ROCK inhibitor netarsudil for the treatment of open-angle glaucoma. | Bioorganic & medicinal chemistry letters 20160515 |
| Ocular hypotensive effect of the Rho kinase inhibitor AR-12286 in patients with glaucoma and ocular hypertension. | American journal of ophthalmology 20111101 |
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