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85079-39-6 | 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-(3-(diethylamino)propoxy)-
CAS No: 85079-39-6 Catalog No: AG004XO1 MDL No:
Product Description
Catalog Number:
AG004XO1
Chemical Name:
7H-Furo(3,2-g)(1)benzopyran-7-one, 9-(3-(diethylamino)propoxy)-
CAS Number:
85079-39-6
Molecular Formula:
C18H21NO4
Molecular Weight:
315.3636
IUPAC Name:
9-[3-(diethylamino)propoxy]furo[3,2-g]chromen-7-one
InChI:
InChI=1S/C18H21NO4/c1-3-19(4-2)9-5-10-21-18-16-14(8-11-22-16)12-13-6-7-15(20)23-17(13)18/h6-8,11-12H,3-5,9-10H2,1-2H3
InChI Key:
DCSPVYIRRHOYEH-UHFFFAOYSA-N
SMILES:
CCN(CCCOc1c2occc2cc2c1oc(=O)cc2)CC
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.147g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.369g/mol
Monoisotopic Mass:
315.147g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
51.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| A QSAR model for in silico screening of MAO-A inhibitors. Prediction, synthesis, and biological assay of novel coumarins. | Journal of medicinal chemistry 20060209 |
| Antiviral properties of psoralen derivatives: a biological and physico-chemical investigation. | Biochemical pharmacology 19841101 |
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