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157014-39-6 | 9H-Pyrimido[4,5-b]indole-9-ethanol, 5,6,7,8-tetrahydro-2,4-di-1-pyrrolidinyl-
CAS No: 157014-39-6 Catalog No: AG001P5A MDL No:
Product Description
Catalog Number:
AG001P5A
Chemical Name:
9H-Pyrimido[4,5-b]indole-9-ethanol, 5,6,7,8-tetrahydro-2,4-di-1-pyrrolidinyl-
CAS Number:
157014-39-6
Molecular Formula:
C20H29N5O
Molecular Weight:
355.4772
IUPAC Name:
2-(2,4-dipyrrolidin-1-yl-5,6,7,8-tetrahydropyrimido[4,5-b]indol-9-yl)ethanol
InChI:
InChI=1S/C20H29N5O/c26-14-13-25-16-8-2-1-7-15(16)17-18(23-9-3-4-10-23)21-20(22-19(17)25)24-11-5-6-12-24/h26H,1-14H2
InChI Key:
SQCGVLUYMJYAKN-UHFFFAOYSA-N
SMILES:
OCCn1c2CCCCc2c2c1nc(nc2N1CCCC1)N1CCCC1
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.237g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.486g/mol
Monoisotopic Mass:
355.237g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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