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Home > Indoles and Oxindole > 182313-99-1
182313-99-1 | 9H-PYRIMIDO[4,5-B]INDOLE-9-ETHANOL, 2,4-DI-1-PYRROLIDINYL-
CAS No: 182313-99-1 Catalog No: AG0023LR MDL No:
Product Description
Catalog Number:
AG0023LR
Chemical Name:
9H-PYRIMIDO[4,5-B]INDOLE-9-ETHANOL, 2,4-DI-1-PYRROLIDINYL-
CAS Number:
182313-99-1
Molecular Formula:
C20H25N5O
Molecular Weight:
351.4454
IUPAC Name:
2-(2,4-dipyrrolidin-1-ylpyrimido[4,5-b]indol-9-yl)ethanol
InChI:
InChI=1S/C20H25N5O/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/h1-2,7-8,26H,3-6,9-14H2
InChI Key:
SVIRFZREXGYXRP-UHFFFAOYSA-N
SMILES:
OCCn1c2nc(nc(c2c2c1cccc2)N1CCCC1)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:
351.206g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
351.454g/mol
Monoisotopic Mass:
351.206g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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