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Home > Indoles and Oxindole > 917986-04-0
917986-04-0 | Thiourea, N-(1H-indol-2-ylmethyl)-N'-phenyl-
CAS No: 917986-04-0 Catalog No: AG006LQM MDL No:
Product Description
Catalog Number:
AG006LQM
Chemical Name:
Thiourea, N-(1H-indol-2-ylmethyl)-N'-phenyl-
CAS Number:
917986-04-0
Molecular Formula:
C16H15N3S
Molecular Weight:
281.3754
IUPAC Name:
1-(1H-indol-2-ylmethyl)-3-phenylthiourea
InChI:
InChI=1S/C16H15N3S/c20-16(19-13-7-2-1-3-8-13)17-11-14-10-12-6-4-5-9-15(12)18-14/h1-10,18H,11H2,(H2,17,19,20)
InChI Key:
DCUMHAPLLFTWIF-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccccc1)NCc1cc2c([nH]1)cccc2
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.099g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
281.377g/mol
Monoisotopic Mass:
281.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Isobrassinin and its analogues: novel types of antiproliferative agents. | Bioorganic & medicinal chemistry letters 20061215 |
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