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16511-38-9 | 1H-1-Benzazepine-2,5-dione, 3,4-dihydro-
CAS No: 16511-38-9 Catalog No: AG001V90 MDL No:MFCD02167972
Product Description
Catalog Number:
AG001V90
Chemical Name:
1H-1-Benzazepine-2,5-dione, 3,4-dihydro-
CAS Number:
16511-38-9
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD02167972
IUPAC Name:
3,4-dihydro-1H-1-benzazepine-2,5-dione
InChI:
InChI=1S/C10H9NO2/c12-9-5-6-10(13)11-8-4-2-1-3-7(8)9/h1-4H,5-6H2,(H,11,13)
InChI Key:
VDTXDALRBZEUFV-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)c2c(N1)cccc2
NSC Number:
641163
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR of highly potent and selective dopamine D(3)-receptor antagonists: Quinolin(di)one and benzazepin(di)one derivatives. herve.geneste@abbott.com. | Bioorganic & medicinal chemistry letters 20060201 |
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