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Home > Indoles and Oxindole > 690639-14-6
690639-14-6 | 5H-1,3-Dioxolo[4,5-f]indole-6-carboxamide, N-(phenylmethyl)-
CAS No: 690639-14-6 Catalog No: AG005LRK MDL No:
Product Description
Catalog Number:
AG005LRK
Chemical Name:
5H-1,3-Dioxolo[4,5-f]indole-6-carboxamide, N-(phenylmethyl)-
CAS Number:
690639-14-6
Molecular Formula:
C17H14N2O3
Molecular Weight:
294.3047
IUPAC Name:
N-benzyl-5H-[1,3]dioxolo[4,5-f]indole-6-carboxamide
InChI:
InChI=1S/C17H14N2O3/c20-17(18-9-11-4-2-1-3-5-11)14-6-12-7-15-16(22-10-21-15)8-13(12)19-14/h1-8,19H,9-10H2,(H,18,20)
InChI Key:
MILPPEFILWAYDN-UHFFFAOYSA-N
SMILES:
O=C(c1[nH]c2c(c1)cc1c(c2)OCO1)NCc1ccccc1
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.1g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.31g/mol
Monoisotopic Mass:
294.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Design and synthesis of novel dihydroxyindole-2-carboxylic acids as HIV-1 integrase inhibitors. | Antiviral chemistry & chemotherapy 20040301 |
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