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Home > Imidazoles > 828265-59-4
828265-59-4 | 2H-1-Benzopyran-2-one, 4-(1H-imidazol-1-ylmethyl)-7-phenoxy-
CAS No: 828265-59-4 Catalog No: AG004XLA MDL No:
Product Description
Catalog Number:
AG004XLA
Chemical Name:
2H-1-Benzopyran-2-one, 4-(1H-imidazol-1-ylmethyl)-7-phenoxy-
CAS Number:
828265-59-4
Molecular Formula:
C19H14N2O3
Molecular Weight:
318.3261
IUPAC Name:
4-(imidazol-1-ylmethyl)-7-phenoxychromen-2-one
InChI:
InChI=1S/C19H14N2O3/c22-19-10-14(12-21-9-8-20-13-21)17-7-6-16(11-18(17)24-19)23-15-4-2-1-3-5-15/h1-11,13H,12H2
InChI Key:
FUYHNARLSZKQAR-UHFFFAOYSA-N
SMILES:
O=c1cc(Cn2cncc2)c2c(o1)cc(cc2)Oc1ccccc1
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.1g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.332g/mol
Monoisotopic Mass:
318.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17-20 lyase. | Journal of medicinal chemistry 20110324 |
| 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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