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875468-31-8 | Naphtho[2,1-b]furan-1-amine, 2-(4,5-dihydro-5-phenyl-1H-pyrazol-3-yl)-
CAS No: 875468-31-8 Catalog No: AG004DDD MDL No:
Product Description
Catalog Number:
AG004DDD
Chemical Name:
Naphtho[2,1-b]furan-1-amine, 2-(4,5-dihydro-5-phenyl-1H-pyrazol-3-yl)-
CAS Number:
875468-31-8
Molecular Formula:
C21H17N3O
Molecular Weight:
327.3792
IUPAC Name:
2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)benzo[e][1]benzofuran-1-amine
InChI:
InChI=1S/C21H17N3O/c22-20-19-15-9-5-4-6-13(15)10-11-18(19)25-21(20)17-12-16(23-24-17)14-7-2-1-3-8-14/h1-11,16,23H,12,22H2
InChI Key:
MMULNUMTGMHKFA-UHFFFAOYSA-N
SMILES:
Nc1c(oc2c1c1ccccc1cc2)C1=NNC(C1)c1ccccc1
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.137g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
327.387g/mol
Monoisotopic Mass:
327.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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