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157013-25-7 | 5H-Pyrimido[4,5-b]indole, 6,7,8,9-tetrahydro-2,4-di-1-pyrrolidinyl-
CAS No: 157013-25-7 Catalog No: AG001P5G MDL No:
Product Description
Catalog Number:
AG001P5G
Chemical Name:
5H-Pyrimido[4,5-b]indole, 6,7,8,9-tetrahydro-2,4-di-1-pyrrolidinyl-
CAS Number:
157013-25-7
Molecular Formula:
C18H25N5
Molecular Weight:
311.4246
IUPAC Name:
2,4-dipyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole
InChI:
InChI=1S/C18H25N5/c1-2-8-14-13(7-1)15-16(19-14)20-18(23-11-5-6-12-23)21-17(15)22-9-3-4-10-22/h1-12H2,(H,19,20,21)
InChI Key:
HATSQPGGZVMIDL-UHFFFAOYSA-N
SMILES:
C1CCN(C1)c1nc2[nH]c3c(c2c(n1)N1CCCC1)CCCC3
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.211g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.433g/mol
Monoisotopic Mass:
311.211g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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