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Home > Imidazoles > 828265-64-1
828265-64-1 | 2H-1-Benzopyran-2-one, 4-(1H-imidazol-1-ylmethyl)-3-phenyl-
CAS No: 828265-64-1 Catalog No: AG0055UD MDL No:
Product Description
Catalog Number:
AG0055UD
Chemical Name:
2H-1-Benzopyran-2-one, 4-(1H-imidazol-1-ylmethyl)-3-phenyl-
CAS Number:
828265-64-1
Molecular Formula:
C19H14N2O2
Molecular Weight:
302.3267
IUPAC Name:
4-(imidazol-1-ylmethyl)-3-phenylchromen-2-one
InChI:
InChI=1S/C19H14N2O2/c22-19-18(14-6-2-1-3-7-14)16(12-21-11-10-20-13-21)15-8-4-5-9-17(15)23-19/h1-11,13H,12H2
InChI Key:
LEYZDEAPEBHISK-UHFFFAOYSA-N
SMILES:
O=c1oc2ccccc2c(c1c1ccccc1)Cn1ccnc1
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.106g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.333g/mol
Monoisotopic Mass:
302.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors. | Journal of medicinal chemistry 20090108 |
| Design, synthesis, and 3D QSAR of novel potent and selective aromatase inhibitors. | Journal of medicinal chemistry 20041230 |
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