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17754-91-5 | 2H-1-Benzopyran-7-amine, 3-(1H-benzimidazol-2-yl)-N,N-diethyl-2-imino-
CAS No: 17754-91-5 Catalog No: AG0025DC MDL No:
Product Description
Catalog Number:
AG0025DC
Chemical Name:
2H-1-Benzopyran-7-amine, 3-(1H-benzimidazol-2-yl)-N,N-diethyl-2-imino-
CAS Number:
17754-91-5
Molecular Formula:
C20H20N4O
Molecular Weight:
332.3990
IUPAC Name:
3-(1H-benzimidazol-2-yl)-N,N-diethyl-2-iminochromen-7-amine
InChI:
InChI=1S/C20H20N4O/c1-3-24(4-2)14-10-9-13-11-15(19(21)25-18(13)12-14)20-22-16-7-5-6-8-17(16)23-20/h5-12,21H,3-4H2,1-2H3,(H,22,23)
InChI Key:
OPJVECATCLMTEH-UHFFFAOYSA-N
SMILES:
CCN(c1ccc2c(c1)oc(=N)c(c2)c1nc2c([nH]1)cccc2)CC
EC Number:
605-803-5
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.164g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
332.407g/mol
Monoisotopic Mass:
332.164g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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