200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 130320-49-9
130320-49-9 | 1H-Indole-2-carbonitrile, 4-[3-[4-[[4-(cyanomethoxy)phenyl]phenylmethyl]-1-piperazinyl]-2-hydroxypropoxy]-
CAS No: 130320-49-9 Catalog No: AG000U9W MDL No:
Product Description
Catalog Number:
AG000U9W
Chemical Name:
1H-Indole-2-carbonitrile, 4-[3-[4-[[4-(cyanomethoxy)phenyl]phenylmethyl]-1-piperazinyl]-2-hydroxypropoxy]-
CAS Number:
130320-49-9
Molecular Formula:
C31H31N5O3
Molecular Weight:
521.6095
IUPAC Name:
4-[3-[4-[[4-(cyanomethoxy)phenyl]-phenylmethyl]piperazin-1-yl]-2-hydroxypropoxy]-1H-indole-2-carbonitrile
InChI:
InChI=1S/C31H31N5O3/c32-13-18-38-27-11-9-24(10-12-27)31(23-5-2-1-3-6-23)36-16-14-35(15-17-36)21-26(37)22-39-30-8-4-7-29-28(30)19-25(20-33)34-29/h1-12,19,26,31,34,37H,14-18,21-22H2
InChI Key:
OTQWYXOVIWDIFW-UHFFFAOYSA-N
SMILES:
N#CCOc1ccc(cc1)C(c1ccccc1)N1CCN(CC1)CC(COc1cccc2c1cc([nH]2)C#N)O
Properties
Complexity:
847
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
521.243g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
521.621g/mol
Monoisotopic Mass:
521.243g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| Sodium channel comodification with full activator reveals veratridine reaction dynamics. | Molecular pharmacology 19900201 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.