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Home > Indoles and Oxindole > 1373765-19-5
1373765-19-5 | 2,9-Diazaspiro[5.5]undecan-1-one, 2-(1H-indol-3-ylmethyl)-9-(4-methoxy-2-pyrimidinyl)-
CAS No: 1373765-19-5 Catalog No: AG001373 MDL No:
Product Description
Catalog Number:
AG001373
Chemical Name:
2,9-Diazaspiro[5.5]undecan-1-one, 2-(1H-indol-3-ylmethyl)-9-(4-methoxy-2-pyrimidinyl)-
CAS Number:
1373765-19-5
Molecular Formula:
C23H27N5O2
Molecular Weight:
405.4928
IUPAC Name:
2-(1H-indol-3-ylmethyl)-9-(4-methoxypyrimidin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one
InChI:
InChI=1S/C23H27N5O2/c1-30-20-7-11-24-22(26-20)27-13-9-23(10-14-27)8-4-12-28(21(23)29)16-17-15-25-19-6-3-2-5-18(17)19/h2-3,5-7,11,15,25H,4,8-10,12-14,16H2,1H3
InChI Key:
PCMHOSYCWRRHTG-UHFFFAOYSA-N
SMILES:
COc1ccnc(n1)N1CCC2(CC1)CCCN(C2=O)Cc1c[nH]c2c1cccc2
Properties
Complexity:
608
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.216g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
405.502g/mol
Monoisotopic Mass:
405.216g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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