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1962928-21-7 | 5-(Dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-[2-(4-propoxyphenyl)ethyl]-1H-1,3-benzodiazole
CAS No: 1962928-21-7 Catalog No: AG01DU9O MDL No:
Product Description
Catalog Number:
AG01DU9O
Chemical Name:
5-(Dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-[2-(4-propoxyphenyl)ethyl]-1H-1,3-benzodiazole
CAS Number:
1962928-21-7
Molecular Formula:
C29H36N4O3
Molecular Weight:
488.6211
IUPAC Name:
4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-propoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine
InChI:
InChI=1S/C29H36N4O3/c1-4-17-35-25-9-5-23(6-10-25)7-12-28-30-26-20-24(29-21(2)31-36-22(29)3)8-11-27(26)33(28)14-13-32-15-18-34-19-16-32/h5-6,8-11,20H,4,7,12-19H2,1-3H3
InChI Key:
CGWBJJZOKGZCSJ-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1)CCc1nc2c(n1CCN1CCOCC1)ccc(c2)c1c(C)noc1C
Properties
Complexity:
654
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
488.279g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
488.632g/mol
Monoisotopic Mass:
488.279g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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