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2070014-93-4 | 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-[2-(4-propoxyphenyl)ethyl]-1H-1,3-benzodiazole
CAS No: 2070014-93-4 Catalog No: AG00ILOP MDL No:
Product Description
Catalog Number:
AG00ILOP
Chemical Name:
5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-[2-(4-propoxyphenyl)ethyl]-1H-1,3-benzodiazole
CAS Number:
2070014-93-4
Molecular Formula:
C29H37ClN4O3
Molecular Weight:
525.0821
IUPAC Name:
4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-propoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine;hydrochloride
InChI:
InChI=1S/C29H36N4O3.ClH/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;1H
InChI Key:
HFOZCHHWLMTUTP-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1)CCc1nc2c(n1CCN1CCOCC1)ccc(c2)c1c(C)noc1C.Cl
Properties
Complexity:
654
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
524.255g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
525.09g/mol
Monoisotopic Mass:
524.255g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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