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112270-44-7 | Isoxazole,5-[7-[4-[4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]phenoxy]heptyl]-3-methyl-,(R)- (9CI)
CAS No: 112270-44-7 Catalog No: AG007BS8 MDL No:
Product Description
Catalog Number:
AG007BS8
Chemical Name:
Isoxazole,5-[7-[4-[4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]phenoxy]heptyl]-3-methyl-,(R)- (9CI)
CAS Number:
112270-44-7
Molecular Formula:
C23H32N2O3
Molecular Weight:
384.5118
IUPAC Name:
3-methyl-5-[7-[4-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]heptyl]-1,2-oxazole
InChI:
InChI=1S/C23H32N2O3/c1-17(2)22-16-27-23(24-22)19-10-12-20(13-11-19)26-14-8-6-4-5-7-9-21-15-18(3)25-28-21/h10-13,15,17,22H,4-9,14,16H2,1-3H3/t22-/m0/s1
InChI Key:
KLHDQXLZRZRIFP-QFIPXVFZSA-N
SMILES:
CC([C@@H]1COC(=N1)c1ccc(cc1)OCCCCCCCc1onc(c1)C)C
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
384.241g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.52g/mol
Monoisotopic Mass:
384.241g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
Literature
| Title | Journal |
|---|---|
| Enantiomeric effects of homologues of disoxaril on the inhibitory activity against human rhinovirus-14. | Journal of medicinal chemistry 19880301 |
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