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Home > Indoles and Oxindole > 68724-84-5
68724-84-5 | Azepino[3,4-b]indole-1,5(2H,10H)-dione, 3,4-dihydro-
CAS No: 68724-84-5 Catalog No: AG006HCK MDL No:
Product Description
Catalog Number:
AG006HCK
Chemical Name:
Azepino[3,4-b]indole-1,5(2H,10H)-dione, 3,4-dihydro-
CAS Number:
68724-84-5
Molecular Formula:
C12H10N2O2
Molecular Weight:
214.2200
IUPAC Name:
2,3,4,10-tetrahydroazepino[3,4-b]indole-1,5-dione
InChI:
InChI=1S/C12H10N2O2/c15-9-5-6-13-12(16)11-10(9)7-3-1-2-4-8(7)14-11/h1-4,14H,5-6H2,(H,13,16)
InChI Key:
VGMHRBJIXQCKPX-UHFFFAOYSA-N
SMILES:
O=C1NCCC(=O)c2c1[nH]c1c2cccc1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.224g/mol
Monoisotopic Mass:
214.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Synthesis and evaluation of novel anti-proliferative pyrroloazepinone and indoloazepinone oximes derived from the marine natural product hymenialdisine. | European journal of medicinal chemistry 20121001 |
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