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Home > Indoles and Oxindole > 314083-34-6
314083-34-6 | 1H-Isoindole-1,3(2H)-dione, 2-[5-[4-(1H-indol-3-yl)-1-piperidinyl]pentyl]-
CAS No: 314083-34-6 Catalog No: AG007JMN MDL No:
Product Description
Catalog Number:
AG007JMN
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[5-[4-(1H-indol-3-yl)-1-piperidinyl]pentyl]-
CAS Number:
314083-34-6
Molecular Formula:
C26H29N3O2
Molecular Weight:
415.5274
IUPAC Name:
2-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]isoindole-1,3-dione
InChI:
InChI=1S/C26H29N3O2/c30-25-21-9-2-3-10-22(21)26(31)29(25)15-7-1-6-14-28-16-12-19(13-17-28)23-18-27-24-11-5-4-8-20(23)24/h2-5,8-11,18-19,27H,1,6-7,12-17H2
InChI Key:
BCYDBPXNUFAXIU-UHFFFAOYSA-N
SMILES:
O=C1N(CCCCCN2CCC(CC2)c2c[nH]c3c2cccc3)C(=O)c2c1cccc2
Properties
Complexity:
621
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.226g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
415.537g/mol
Monoisotopic Mass:
415.226g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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