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Home > Indoles and Oxindole > 182314-01-8
182314-01-8 | 9H-Pyrimido[4,5-b]indole, 9-(1,1-dimethylethyl)-2,4-di-1-pyrrolidinyl-
CAS No: 182314-01-8 Catalog No: AG0023LQ MDL No:
Product Description
Catalog Number:
AG0023LQ
Chemical Name:
9H-Pyrimido[4,5-b]indole, 9-(1,1-dimethylethyl)-2,4-di-1-pyrrolidinyl-
CAS Number:
182314-01-8
Molecular Formula:
C22H29N5
Molecular Weight:
363.4992
IUPAC Name:
9-tert-butyl-2,4-dipyrrolidin-1-ylpyrimido[4,5-b]indole
InChI:
InChI=1S/C22H29N5/c1-22(2,3)27-17-11-5-4-10-16(17)18-19(25-12-6-7-13-25)23-21(24-20(18)27)26-14-8-9-15-26/h4-5,10-11H,6-9,12-15H2,1-3H3
InChI Key:
URHOEJCLBMCIRB-UHFFFAOYSA-N
SMILES:
CC(n1c2ccccc2c2c1nc(nc2N1CCCC1)N1CCCC1)(C)C
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.242g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.509g/mol
Monoisotopic Mass:
363.242g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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