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101544-38-1 | Ethanone, 1-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-2-[bis(phenylmethyl)amino]-
CAS No: 101544-38-1 Catalog No: AG0004QW MDL No:
Product Description
Catalog Number:
AG0004QW
Chemical Name:
Ethanone, 1-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-2-[bis(phenylmethyl)amino]-
CAS Number:
101544-38-1
Molecular Formula:
C26H26N2O2
Molecular Weight:
398.4968
IUPAC Name:
1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(dibenzylamino)ethanone
InChI:
InChI=1S/C26H26N2O2/c1-20(29)28-15-14-23-16-24(12-13-25(23)28)26(30)19-27(17-21-8-4-2-5-9-21)18-22-10-6-3-7-11-22/h2-13,16H,14-15,17-19H2,1H3
InChI Key:
CFIITSQYJZOTNN-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCc2c1ccc(c2)C(=O)CN(Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
560
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.199g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.506g/mol
Monoisotopic Mass:
398.199g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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