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112270-39-0 | Isoxazole,5-[7-[4-[(4S)-4-ethyl-4,5-dihydro-2-oxazolyl]phenoxy]heptyl]-3-methyl-
CAS No: 112270-39-0 Catalog No: AG007TY2 MDL No:
Product Description
Catalog Number:
AG007TY2
Chemical Name:
Isoxazole,5-[7-[4-[(4S)-4-ethyl-4,5-dihydro-2-oxazolyl]phenoxy]heptyl]-3-methyl-
CAS Number:
112270-39-0
Molecular Formula:
C22H30N2O3
Molecular Weight:
370.4852
IUPAC Name:
5-[7-[4-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]heptyl]-3-methyl-1,2-oxazole
InChI:
InChI=1S/C22H30N2O3/c1-3-19-16-26-22(23-19)18-10-12-20(13-11-18)25-14-8-6-4-5-7-9-21-15-17(2)24-27-21/h10-13,15,19H,3-9,14,16H2,1-2H3/t19-/m0/s1
InChI Key:
PZDSRPCFNWOUFP-IBGZPJMESA-N
SMILES:
CC[C@H]1COC(=N1)c1ccc(cc1)OCCCCCCCc1onc(c1)C
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
370.226g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.493g/mol
Monoisotopic Mass:
370.226g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
Literature
| Title | Journal |
|---|---|
| A model for compounds active against human rhinovirus-14 based on X-ray crystallography data. | Journal of medicinal chemistry 19900501 |
| Enantiomeric effects of homologues of disoxaril on the inhibitory activity against human rhinovirus-14. | Journal of medicinal chemistry 19880301 |
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